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

C15H15N5O — CID 658477

IUPAC2-[(4,6-dimethylpyrimidin-2-yl)amino]-1-phenyl-4H-imidazol-5-one
SMILESCc1cc(C)nc(NC2=NCC(=O)N2c2ccccc2)n1
InChIInChI=1S/C15H15N5O/c1-10-8-11(2)18-14(17-10)19-15-16-9-13(21)20(15)12-6-4-3-5-7-12/h3-8H,9H2,1-2H3,(H,16,17,18,19)
InChIKeyQSQNSSCFXAFGAW-UHFFFAOYSA-N
MW281.32 g/mol
LogP1.91
Rot. Bonds2

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

2-[(4,6-dimethylpyrimidin-2-yl)amino]-1-phenyl-4H-imidazol-5-one (PubChem CID 658477) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is 2-[(4,6-dimethylpyrimidin-2-yl)amino]-1-phenyl-4H-imidazol-5-one.

Molecular Properties

Compound Name2-[(4,6-dimethylpyrimidin-2-yl)amino]-1-phenyl-4H-imidazol-5-one
PubChem CID658477
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name2-[(4,6-dimethylpyrimidin-2-yl)amino]-1-phenyl-4H-imidazol-5-one
SMILESCc1cc(C)nc(NC2=NCC(=O)N2c2ccccc2)n1
InChIInChI=1S/C15H15N5O/c1-10-8-11(2)18-14(17-10)19-15-16-9-13(21)20(15)12-6-4-3-5-7-12/h3-8H,9H2,1-2H3,(H,16,17,18,19)
InChIKeyQSQNSSCFXAFGAW-UHFFFAOYSA-N
XLogP1.91
TPSA70.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Pyrimethanil
CID 91650
1-(4,6-Dimethyl-2-pyrimidinyl)-3-phenylguanidine
CID 9570316
Urea, 1-(4,6-dimethyl-2-pyrimidinyl)-3-phenyl-
CID 204268
N-(4,6-Dimethylpyrimidin-2-yl)benzene-1,4-diamine
CID 735909
N-[4-[[2-(4-acetamidoanilino)-6-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 1118298
Dimethyl[6-methyl-2-(phenylamino)pyrimidin-4-yl]amine
CID 718645
N-[4-(4,6-Dimethyl-pyrimidin-2-ylamino)-phenyl]-acetamide
CID 734481
2-(4,6-Dimethyl-pyrimidin-2-ylamino)-3-p-tolyl-3,5-dihydro-imidazol-4-one
CID 915125
N-(2,4-difluorophenyl)-N'-(4,6-dimethyl-2-pyrimidinyl)urea
CID 971626
1-(3-chloro-4-fluorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4H-imidazol-5-one
CID 714358
N-[4-(diethylamino)phenyl]-2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]acetamide
CID 3240772
N-(2,2-Dimethyl-propionyl)-N'-(4,6-dimethyl-pyrimidin-2-yl)-N''-(4-fluoro-phenyl)-guanidine
CID 135437343

Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-dimethylpyrimidin-2-yl)amino]-1-phenyl-4H-imidazol-5-one?
The IUPAC name of 2-[(4,6-dimethylpyrimidin-2-yl)amino]-1-phenyl-4H-imidazol-5-one (CID 658477) is 2-[(4,6-dimethylpyrimidin-2-yl)amino]-1-phenyl-4H-imidazol-5-one.
What is the SMILES notation for 2-[(4,6-dimethylpyrimidin-2-yl)amino]-1-phenyl-4H-imidazol-5-one?
The canonical SMILES for 2-[(4,6-dimethylpyrimidin-2-yl)amino]-1-phenyl-4H-imidazol-5-one is Cc1cc(C)nc(NC2=NCC(=O)N2c2ccccc2)n1.
What is the InChIKey of 2-[(4,6-dimethylpyrimidin-2-yl)amino]-1-phenyl-4H-imidazol-5-one?
The InChIKey is QSQNSSCFXAFGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c1-10-8-11(2)18-14(17-10)19-15-16-9-13(21)20(15)12-6-4-3-5-7-12/h3-8H,9H2,1-2H3,(H,16,17,18,19).
What are the key properties of 2-[(4,6-dimethylpyrimidin-2-yl)amino]-1-phenyl-4H-imidazol-5-one?
2-[(4,6-dimethylpyrimidin-2-yl)amino]-1-phenyl-4H-imidazol-5-one has a molecular weight of 281.32 g/mol, XLogP of 1.91, 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-phenyl-4H-imidazol-5-one is sourced from PubChem (CID 658477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).