1-(3-acetylphenyl)-3-(4,6-dimethylpyrimidin-2-yl)urea

C15H16N4O2 — CID 2205581

IUPAC1-(3-acetylphenyl)-3-(4,6-dimethylpyrimidin-2-yl)urea
SMILESCC(=O)c1cccc(NC(=O)Nc2nc(C)cc(C)n2)c1
InChIInChI=1S/C15H16N4O2/c1-9-7-10(2)17-14(16-9)19-15(21)18-13-6-4-5-12(8-13)11(3)20/h4-8H,1-3H3,(H2,16,17,18,19,21)
InChIKeyMWKGAKSMIMTHJB-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.94
Rot. Bonds3

About 1-(3-acetylphenyl)-3-(4,6-dimethylpyrimidin-2-yl)urea

1-(3-acetylphenyl)-3-(4,6-dimethylpyrimidin-2-yl)urea (PubChem CID 2205581) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 1-(3-acetylphenyl)-3-(4,6-dimethylpyrimidin-2-yl)urea.

Molecular Properties

Compound Name1-(3-acetylphenyl)-3-(4,6-dimethylpyrimidin-2-yl)urea
PubChem CID2205581
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name1-(3-acetylphenyl)-3-(4,6-dimethylpyrimidin-2-yl)urea
SMILESCC(=O)c1cccc(NC(=O)Nc2nc(C)cc(C)n2)c1
InChIInChI=1S/C15H16N4O2/c1-9-7-10(2)17-14(16-9)19-15(21)18-13-6-4-5-12(8-13)11(3)20/h4-8H,1-3H3,(H2,16,17,18,19,21)
InChIKeyMWKGAKSMIMTHJB-UHFFFAOYSA-N
XLogP2.94
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4,6-diphenylpyrimidin-2-yl)benzamide
CID 11314132
4-bromo-N-(4,6-dimethylpyrimidin-2-yl)benzamide
CID 705612
7-methyl-2-[(4-methyl-6-phenyl-2-pyrimidinyl)amino]-1H-quinazolin-4-one
CID 135426178
N-(2,6-diphenylpyrimidin-4-yl)benzamide
CID 11245073
N-[[(6-methyl-2-pyridinyl)amino]-oxomethyl]benzamide
CID 5093257
N-(4,6-Dimethyl-2-pyridinyl)-3-nitrobenzamide
CID 896056
N-(4,6-dimethyl-2-pyridinyl)benzamide
CID 124524
1-[4-[(6-Methyl-2-methylsulfanyl-5-prop-2-enylpyrimidin-4-yl)amino]phenyl]ethanone
CID 789775
1-[4-({[4-(2,4-Diamino-6-ethylpyrimidin-5-yl)phenyl]amino}methyl)phenyl]ethan-1-one
CID 11537800
Benzamide, N-[[(4,6-dimethyl-2-pyrimidinyl)amino]thioxomethyl]-
CID 797908
N-(5-acetyl-6-methyl-2-phenylpyrimidin-4-yl)-2-phenylacetamide
CID 873457
N-(4,6-dimethylpyrimidin-2-yl)-3,4-dimethylbenzamide
CID 884012

Frequently Asked Questions

What is the IUPAC name of 1-(3-acetylphenyl)-3-(4,6-dimethylpyrimidin-2-yl)urea?
The IUPAC name of 1-(3-acetylphenyl)-3-(4,6-dimethylpyrimidin-2-yl)urea (CID 2205581) is 1-(3-acetylphenyl)-3-(4,6-dimethylpyrimidin-2-yl)urea.
What is the SMILES notation for 1-(3-acetylphenyl)-3-(4,6-dimethylpyrimidin-2-yl)urea?
The canonical SMILES for 1-(3-acetylphenyl)-3-(4,6-dimethylpyrimidin-2-yl)urea is CC(=O)c1cccc(NC(=O)Nc2nc(C)cc(C)n2)c1.
What is the InChIKey of 1-(3-acetylphenyl)-3-(4,6-dimethylpyrimidin-2-yl)urea?
The InChIKey is MWKGAKSMIMTHJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-9-7-10(2)17-14(16-9)19-15(21)18-13-6-4-5-12(8-13)11(3)20/h4-8H,1-3H3,(H2,16,17,18,19,21).
What are the key properties of 1-(3-acetylphenyl)-3-(4,6-dimethylpyrimidin-2-yl)urea?
1-(3-acetylphenyl)-3-(4,6-dimethylpyrimidin-2-yl)urea has a molecular weight of 284.32 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-acetylphenyl)-3-(4,6-dimethylpyrimidin-2-yl)urea is sourced from PubChem (CID 2205581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).