RS-127445 2mg

CAT: 0628-A11165-2Size: 2 mgDry Ice: NoHazardous: No

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CAT#:0628-A11165-2Size:2 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

199864-87-4

Chemical Information

4-(4-Fluoro-1-naphthalenyl)-6-(1-methylethyl)-2-pyrimidinamine

4-(4-Fluoronaphthalen-1-yl)-6-isopropylpyrimidin-2-amine is an organic molecular entity.

CAS Number	199864-87-4
PubChem CID	196968
IUPAC Name	4-(4-fluoronaphthalen-1-yl)-6-propan-2-ylpyrimidin-2-amine
Molecular Formula	C17H16FN3
Molecular Weight	281.33
XLogP	4
Topological Polar Surface Area	51.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	21
Formal Charge	0
Complexity	349

SMILES

CC(C)C1=NC(=NC(=C1)C2=CC=C(C3=CC=CC=C32)F)N

InChI

InChI=1S/C17H16FN3/c1-10(2)15-9-16(21-17(19)20-15)13-7-8-14(18)12-6-4-3-5-11(12)13/h3-10H,1-2H3,(H2,19,20,21)

InChIKey

ZZZQXCUPAJFVBN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 199864-87-4

CID: 196968

Formula: C17H16FN3

MW: 281.33

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	281.33
XLogP3	4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	281.13282569
Monoisotopic Mass	281.13282569
Topological Polar Surface Area	51.8 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	349
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
464848-01	RS-127445
MBS3845686-01	RS 127445