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Mepanipyrim-2-hydroxypropyl

CAT: 0572-TRC-M223605-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-M223605-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
204571-52-8
Hazard Statement
Suspected of causing cancer; UN number: UN3077; Packing Group: III
Purity
>95% (HPLC)
Smiles
CC(O)Cc1cc(C)nc(Nc2ccccc2)n1
Molecular Formula
C14 H17 N3 O
Molecular Weight
243.3
InChI
InChI=1S/C14H17N3O/c1-10-8-13(9-11(2)18)17-14(15-10)16-12-6-4-3-5-7-12/h3-8,11,18H,9H2,1-2H3,(H,15,16,17)
Additionnal Information
IUPAC name: 1-(2-anilino-6-methylpyrimidin-4-yl)propan-2-ol
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

1-(2-Anilino-6-methyl-4-pyrimidinyl)-2-propanol
CAS Number204571-52-8
PubChem CID57418123
IUPAC Name1-(2-anilino-6-methylpyrimidin-4-yl)propan-2-ol
Molecular FormulaC14H17N3O
Molecular Weight243.30
XLogP2.5
Topological Polar Surface Area58
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count18
Formal Charge0
Complexity243
SMILES
CC1=CC(=NC(=N1)NC2=CC=CC=C2)CC(C)O
InChI
InChI=1S/C14H17N3O/c1-10-8-13(9-11(2)18)17-14(15-10)16-12-6-4-3-5-7-12/h3-8,11,18H,9H2,1-2H3,(H,15,16,17)
InChIKey
OMAYAFSHSPPBTA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(2-Anilino-6-methyl-4-pyrimidinyl)-2-propanol
CAS: 204571-52-8
CID: 57418123
Formula: C14H17N3O
MW: 243.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight243.30
XLogP32.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass243.137162174
Monoisotopic Mass243.137162174
Topological Polar Surface Area58 Ų
Heavy Atom Count18
Formal Charge0
Complexity243
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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