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

C16H17N5O — CID 915125

IUPAC2-[(4,6-dimethylpyrimidin-2-yl)amino]-1-(4-methylphenyl)-4H-imidazol-5-one
SMILESCc1ccc(N2C(=O)CN=C2Nc2nc(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/h4-8H,9H2,1-3H3,(H,17,18,19,20)
InChIKeyQIEIHDHCSDYJRF-UHFFFAOYSA-N
MW295.35 g/mol
LogP2.22
Rot. Bonds2

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

2-[(4,6-dimethylpyrimidin-2-yl)amino]-1-(4-methylphenyl)-4H-imidazol-5-one (PubChem CID 915125) 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-(4-methylphenyl)-4H-imidazol-5-one.

Molecular Properties

Compound Name2-[(4,6-dimethylpyrimidin-2-yl)amino]-1-(4-methylphenyl)-4H-imidazol-5-one
PubChem CID915125
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC Name2-[(4,6-dimethylpyrimidin-2-yl)amino]-1-(4-methylphenyl)-4H-imidazol-5-one
SMILESCc1ccc(N2C(=O)CN=C2Nc2nc(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/h4-8H,9H2,1-3H3,(H,17,18,19,20)
InChIKeyQIEIHDHCSDYJRF-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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Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-dimethylpyrimidin-2-yl)amino]-1-(4-methylphenyl)-4H-imidazol-5-one?
The IUPAC name of 2-[(4,6-dimethylpyrimidin-2-yl)amino]-1-(4-methylphenyl)-4H-imidazol-5-one (CID 915125) is 2-[(4,6-dimethylpyrimidin-2-yl)amino]-1-(4-methylphenyl)-4H-imidazol-5-one.
What is the SMILES notation for 2-[(4,6-dimethylpyrimidin-2-yl)amino]-1-(4-methylphenyl)-4H-imidazol-5-one?
The canonical SMILES for 2-[(4,6-dimethylpyrimidin-2-yl)amino]-1-(4-methylphenyl)-4H-imidazol-5-one is Cc1ccc(N2C(=O)CN=C2Nc2nc(C)cc(C)n2)cc1.
What is the InChIKey of 2-[(4,6-dimethylpyrimidin-2-yl)amino]-1-(4-methylphenyl)-4H-imidazol-5-one?
The InChIKey is QIEIHDHCSDYJRF-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/h4-8H,9H2,1-3H3,(H,17,18,19,20).
What are the key properties of 2-[(4,6-dimethylpyrimidin-2-yl)amino]-1-(4-methylphenyl)-4H-imidazol-5-one?
2-[(4,6-dimethylpyrimidin-2-yl)amino]-1-(4-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-(4-methylphenyl)-4H-imidazol-5-one is sourced from PubChem (CID 915125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).