2-[(4,6-dimethylpyrimidin-2-yl)amino]-1-(3-methylphenyl)-4H-imidazol-5-one

C16H17N5O — CID 915367

IUPAC2-[(4,6-dimethylpyrimidin-2-yl)amino]-1-(3-methylphenyl)-4H-imidazol-5-one
SMILESCc1cccc(N2C(=O)CN=C2Nc2nc(C)cc(C)n2)c1
InChIInChI=1S/C16H17N5O/c1-10-5-4-6-13(7-10)21-14(22)9-17-16(21)20-15-18-11(2)8-12(3)19-15/h4-8H,9H2,1-3H3,(H,17,18,19,20)
InChIKeyORSGDSCLTZWLBF-UHFFFAOYSA-N
MW295.35 g/mol
LogP2.22
Rot. Bonds2

About 2-[(4,6-dimethylpyrimidin-2-yl)amino]-1-(3-methylphenyl)-4H-imidazol-5-one

2-[(4,6-dimethylpyrimidin-2-yl)amino]-1-(3-methylphenyl)-4H-imidazol-5-one (PubChem CID 915367) 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]-1-(3-methylphenyl)-4H-imidazol-5-one.

Molecular Properties

Compound Name2-[(4,6-dimethylpyrimidin-2-yl)amino]-1-(3-methylphenyl)-4H-imidazol-5-one
PubChem CID915367
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC Name2-[(4,6-dimethylpyrimidin-2-yl)amino]-1-(3-methylphenyl)-4H-imidazol-5-one
SMILESCc1cccc(N2C(=O)CN=C2Nc2nc(C)cc(C)n2)c1
InChIInChI=1S/C16H17N5O/c1-10-5-4-6-13(7-10)21-14(22)9-17-16(21)20-15-18-11(2)8-12(3)19-15/h4-8H,9H2,1-3H3,(H,17,18,19,20)
InChIKeyORSGDSCLTZWLBF-UHFFFAOYSA-N
XLogP2.22
TPSA70.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Luf-5735
CID 11392960
2-N-benzyl-4-N-butyl-6-methylpyrimidine-2,4-diamine
CID 659917
N-(2,6-diphenylpyrimidin-4-yl)acetamide
CID 11185362
N-(4,6-diphenylpyrimidin-2-yl)propionamide
CID 11278089
N-(2,6-diphenylpyrimidin-4-yl)isobutyramide
CID 11313151
N-(2,6-diphenylpyrimidin-4-yl)butyramide
CID 11359018
N-(2,6-diphenylpyrimidin-4-yl)-2-ethylbutyramide
CID 11371386
Propanamide, N-(4,6-diphenyl-2-pyrimidinyl)-2-methyl-
CID 11381543
N-(2,6-Diphenylpyrimidin-4-YL)-2-methylbutanamide
CID 11427528
N-(2,6-diphenylpyrimidin-4-yl)propionamide
CID 11438116
N-(2,6-diphenylpyrimidin-4-yl)-3-methylbutyramide
CID 11739042
N-(4,5-diphenylpyrimidin-2-yl)acetamide
CID 12253310

Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-dimethylpyrimidin-2-yl)amino]-1-(3-methylphenyl)-4H-imidazol-5-one?
The IUPAC name of 2-[(4,6-dimethylpyrimidin-2-yl)amino]-1-(3-methylphenyl)-4H-imidazol-5-one (CID 915367) is 2-[(4,6-dimethylpyrimidin-2-yl)amino]-1-(3-methylphenyl)-4H-imidazol-5-one.
What is the SMILES notation for 2-[(4,6-dimethylpyrimidin-2-yl)amino]-1-(3-methylphenyl)-4H-imidazol-5-one?
The canonical SMILES for 2-[(4,6-dimethylpyrimidin-2-yl)amino]-1-(3-methylphenyl)-4H-imidazol-5-one is Cc1cccc(N2C(=O)CN=C2Nc2nc(C)cc(C)n2)c1.
What is the InChIKey of 2-[(4,6-dimethylpyrimidin-2-yl)amino]-1-(3-methylphenyl)-4H-imidazol-5-one?
The InChIKey is ORSGDSCLTZWLBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c1-10-5-4-6-13(7-10)21-14(22)9-17-16(21)20-15-18-11(2)8-12(3)19-15/h4-8H,9H2,1-3H3,(H,17,18,19,20).
What are the key properties of 2-[(4,6-dimethylpyrimidin-2-yl)amino]-1-(3-methylphenyl)-4H-imidazol-5-one?
2-[(4,6-dimethylpyrimidin-2-yl)amino]-1-(3-methylphenyl)-4H-imidazol-5-one has a molecular weight of 295.35 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-dimethylpyrimidin-2-yl)amino]-1-(3-methylphenyl)-4H-imidazol-5-one is sourced from PubChem (CID 915367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).