[3-[(6-methyl-2-phenylpyrimidin-4-yl)amino]phenyl]methanol

C18H17N3O — CID 162653402

IUPAC[3-[(6-methyl-2-phenylpyrimidin-4-yl)amino]phenyl]methanol
SMILESCc1cc(Nc2cccc(CO)c2)nc(-c2ccccc2)n1
InChIInChI=1S/C18H17N3O/c1-13-10-17(20-16-9-5-6-14(11-16)12-22)21-18(19-13)15-7-3-2-4-8-15/h2-11,22H,12H2,1H3,(H,19,20,21)
InChIKeyJPYPVCZZKOQVEG-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.69
Rot. Bonds4

About [3-[(6-methyl-2-phenylpyrimidin-4-yl)amino]phenyl]methanol

[3-[(6-methyl-2-phenylpyrimidin-4-yl)amino]phenyl]methanol (PubChem CID 162653402) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is [3-[(6-methyl-2-phenylpyrimidin-4-yl)amino]phenyl]methanol.

Molecular Properties

Compound Name[3-[(6-methyl-2-phenylpyrimidin-4-yl)amino]phenyl]methanol
PubChem CID162653402
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC Name[3-[(6-methyl-2-phenylpyrimidin-4-yl)amino]phenyl]methanol
SMILESCc1cc(Nc2cccc(CO)c2)nc(-c2ccccc2)n1
InChIInChI=1S/C18H17N3O/c1-13-10-17(20-16-9-5-6-14(11-16)12-22)21-18(19-13)15-7-3-2-4-8-15/h2-11,22H,12H2,1H3,(H,19,20,21)
InChIKeyJPYPVCZZKOQVEG-UHFFFAOYSA-N
XLogP3.69
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[(6-methyl-2-phenylpyrimidin-4-yl)amino]phenyl]methanol?
The IUPAC name of [3-[(6-methyl-2-phenylpyrimidin-4-yl)amino]phenyl]methanol (CID 162653402) is [3-[(6-methyl-2-phenylpyrimidin-4-yl)amino]phenyl]methanol.
What is the SMILES notation for [3-[(6-methyl-2-phenylpyrimidin-4-yl)amino]phenyl]methanol?
The canonical SMILES for [3-[(6-methyl-2-phenylpyrimidin-4-yl)amino]phenyl]methanol is Cc1cc(Nc2cccc(CO)c2)nc(-c2ccccc2)n1.
What is the InChIKey of [3-[(6-methyl-2-phenylpyrimidin-4-yl)amino]phenyl]methanol?
The InChIKey is JPYPVCZZKOQVEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c1-13-10-17(20-16-9-5-6-14(11-16)12-22)21-18(19-13)15-7-3-2-4-8-15/h2-11,22H,12H2,1H3,(H,19,20,21).
What are the key properties of [3-[(6-methyl-2-phenylpyrimidin-4-yl)amino]phenyl]methanol?
[3-[(6-methyl-2-phenylpyrimidin-4-yl)amino]phenyl]methanol has a molecular weight of 291.35 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(6-methyl-2-phenylpyrimidin-4-yl)amino]phenyl]methanol is sourced from PubChem (CID 162653402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).