2-[(4,6-dimethylpyrimidin-2-yl)amino]-3-(4-methylphenyl)imidazol-4-ol

C16H17N5O — CID 698373

IUPAC2-[(4,6-dimethylpyrimidin-2-yl)amino]-3-(4-methylphenyl)imidazol-4-ol
SMILESCc1ccc(-n2c(O)cnc2Nc2nc(C)cc(C)n2)cc1
InChIInChI=1S/C16H17N5O/c1-10-4-6-13(7-5-10)21-14(22)9-17-16(21)20-15-18-11(2)8-12(3)19-15/h4-9,22H,1-3H3,(H,17,18,19,20)
InChIKeyBPIIUHZZWUYMRT-UHFFFAOYSA-N
MW295.35 g/mol
LogP3.04
Rot. Bonds3

About 2-[(4,6-dimethylpyrimidin-2-yl)amino]-3-(4-methylphenyl)imidazol-4-ol

2-[(4,6-dimethylpyrimidin-2-yl)amino]-3-(4-methylphenyl)imidazol-4-ol (PubChem CID 698373) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is 2-[(4,6-dimethylpyrimidin-2-yl)amino]-3-(4-methylphenyl)imidazol-4-ol.

Molecular Properties

Compound Name2-[(4,6-dimethylpyrimidin-2-yl)amino]-3-(4-methylphenyl)imidazol-4-ol
PubChem CID698373
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC Name2-[(4,6-dimethylpyrimidin-2-yl)amino]-3-(4-methylphenyl)imidazol-4-ol
SMILESCc1ccc(-n2c(O)cnc2Nc2nc(C)cc(C)n2)cc1
InChIInChI=1S/C16H17N5O/c1-10-4-6-13(7-5-10)21-14(22)9-17-16(21)20-15-18-11(2)8-12(3)19-15/h4-9,22H,1-3H3,(H,17,18,19,20)
InChIKeyBPIIUHZZWUYMRT-UHFFFAOYSA-N
XLogP3.04
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-dimethylpyrimidin-2-yl)amino]-3-(4-methylphenyl)imidazol-4-ol?
The IUPAC name of 2-[(4,6-dimethylpyrimidin-2-yl)amino]-3-(4-methylphenyl)imidazol-4-ol (CID 698373) is 2-[(4,6-dimethylpyrimidin-2-yl)amino]-3-(4-methylphenyl)imidazol-4-ol.
What is the SMILES notation for 2-[(4,6-dimethylpyrimidin-2-yl)amino]-3-(4-methylphenyl)imidazol-4-ol?
The canonical SMILES for 2-[(4,6-dimethylpyrimidin-2-yl)amino]-3-(4-methylphenyl)imidazol-4-ol is Cc1ccc(-n2c(O)cnc2Nc2nc(C)cc(C)n2)cc1.
What is the InChIKey of 2-[(4,6-dimethylpyrimidin-2-yl)amino]-3-(4-methylphenyl)imidazol-4-ol?
The InChIKey is BPIIUHZZWUYMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c1-10-4-6-13(7-5-10)21-14(22)9-17-16(21)20-15-18-11(2)8-12(3)19-15/h4-9,22H,1-3H3,(H,17,18,19,20).
What are the key properties of 2-[(4,6-dimethylpyrimidin-2-yl)amino]-3-(4-methylphenyl)imidazol-4-ol?
2-[(4,6-dimethylpyrimidin-2-yl)amino]-3-(4-methylphenyl)imidazol-4-ol has a molecular weight of 295.35 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-dimethylpyrimidin-2-yl)amino]-3-(4-methylphenyl)imidazol-4-ol is sourced from PubChem (CID 698373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).