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ART0380

CAT: 0127-BUP21271-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP21271-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2267316-76-5
Synonyms
IACS030380 | IACS-030380 | ART 0380
Purity
=98%
Smiles
C[C@H]1N(C2=NC(=NC(N=S(C)(=O)C3CC3)=C2)C=4C=C(N)N=CC4)CCOC1

Chemical Information

4-[4-[(cyclopropyl-methyl-oxo-lambda6-sulfanylidene)amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]pyridin-2-amine
CAS Number2267316-76-5
PubChem CID137417724
IUPAC Name4-[4-[(cyclopropyl-methyl-oxo-lambda6-sulfanylidene)amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]pyridin-2-amine
Molecular FormulaC18H24N6O2S
Molecular Weight388.5
XLogP1.9
Topological Polar Surface Area115
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count27
Formal Charge0
Complexity635
SMILES
C[C@@H]1COCCN1C2=NC(=NC(=C2)N=S(=O)(C)C3CC3)C4=CC(=NC=C4)N
InChI
InChI=1S/C18H24N6O2S/c1-12-11-26-8-7-24(12)17-10-16(23-27(2,25)14-3-4-14)21-18(22-17)13-5-6-20-15(19)9-13/h5-6,9-10,12,14H,3-4,7-8,11H2,1-2H3,(H2,19,20)/t12-,27?/m1/s1
InChIKey
JHPDHYAMSPMBIF-ZJGDTTMNSA-N
Chemical Structure
2D Structure
2D structure of 4-[4-[(cyclopropyl-methyl-oxo-lambda6-sulfanylidene)amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]pyridin-2-amine
CAS: 2267316-76-5
CID: 137417724
Formula: C18H24N6O2S
MW: 388.5
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight388.5
XLogP31.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass388.16814520
Monoisotopic Mass388.16814520
Topological Polar Surface Area115 Ų
Heavy Atom Count27
Formal Charge0
Complexity635
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BA3712-1ART0380
GTR19240798-01(S) -ART0380
HY-157941A-01(R, R) -ART0380

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