1-(2-anilino-6-methylpyrimidin-4-yl)propan-2-ol

C14H17N3O — CID 57418123

IUPAC1-(2-anilino-6-methylpyrimidin-4-yl)propan-2-ol
SMILESCc1cc(CC(C)O)nc(Nc2ccccc2)n1
InChIInChI=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)
InChIKeyOMAYAFSHSPPBTA-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.45
Rot. Bonds4

About 1-(2-anilino-6-methylpyrimidin-4-yl)propan-2-ol

1-(2-anilino-6-methylpyrimidin-4-yl)propan-2-ol (PubChem CID 57418123) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-(2-anilino-6-methylpyrimidin-4-yl)propan-2-ol.

Molecular Properties

Compound Name1-(2-anilino-6-methylpyrimidin-4-yl)propan-2-ol
PubChem CID57418123
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name1-(2-anilino-6-methylpyrimidin-4-yl)propan-2-ol
SMILESCc1cc(CC(C)O)nc(Nc2ccccc2)n1
InChIInChI=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)
InChIKeyOMAYAFSHSPPBTA-UHFFFAOYSA-N
XLogP2.45
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4,6-Dimethylpyrimidin-2-yl)-1-(3-hydroxyphenyl)guanidine
CID 2869905
1-(4,6-dimethylpyrimidin-2-yl)-3-[(2S)-2-hydroxy-2-phenyl-ethyl]guanidine
CID 6480066
2-{[Amino-(4,6-dimethyl-pyrimidin-2-ylamino)-methyl]-amino}-1-phenyl-ethanol
CID 3013269
1-(4,6-Dimethylpyrimidin-2-yl)-3-(3-hydroxyphenyl)guanidine
CID 5726587
3-(2-Anilino-6-methyl-4-pyrimidinyl)-1,2-propanediol
CID 86196820
(2E)-3-(2-Anilino-6-methyl-4-pyrimidinyl)-2-propen-1-ol
CID 165362759
3-[2-(4-Hydroxyanilino)-6-methyl-4-pyrimidinyl]-1,2-propanediol
CID 165362805
3-[(4,6-Dimethyl-2-pyrimidinyl)amino]phenol
CID 702623
1-((2-Amino-6-phenyl-4-pyrimidinyl)methyl)cyclohexanol
CID 365312
(2-Anilino-6-methylpyrimidin-4-yl)methanol
CID 14327569
{2-[(4-Fluorophenyl)amino]-6-methylpyrimidin-4-yl}methanol
CID 59278633
2-(6-(4-Fluorophenylamino)-2-(methylthio)pyrimidin-4-yl)ethanol
CID 67109879

Frequently Asked Questions

What is the IUPAC name of 1-(2-anilino-6-methylpyrimidin-4-yl)propan-2-ol?
The IUPAC name of 1-(2-anilino-6-methylpyrimidin-4-yl)propan-2-ol (CID 57418123) is 1-(2-anilino-6-methylpyrimidin-4-yl)propan-2-ol.
What is the SMILES notation for 1-(2-anilino-6-methylpyrimidin-4-yl)propan-2-ol?
The canonical SMILES for 1-(2-anilino-6-methylpyrimidin-4-yl)propan-2-ol is Cc1cc(CC(C)O)nc(Nc2ccccc2)n1.
What is the InChIKey of 1-(2-anilino-6-methylpyrimidin-4-yl)propan-2-ol?
The InChIKey is OMAYAFSHSPPBTA-UHFFFAOYSA-N. The full InChI is 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).
What are the key properties of 1-(2-anilino-6-methylpyrimidin-4-yl)propan-2-ol?
1-(2-anilino-6-methylpyrimidin-4-yl)propan-2-ol has a molecular weight of 243.31 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-anilino-6-methylpyrimidin-4-yl)propan-2-ol is sourced from PubChem (CID 57418123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).