1-[2-(4,5-dimethylimidazol-1-yl)pyrimidin-5-yl]-3-(4-methylphenyl)urea

C17H18N6O — CID 121112815

IUPAC1-[2-(4,5-dimethylimidazol-1-yl)pyrimidin-5-yl]-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2cnc(-n3cnc(C)c3C)nc2)cc1
InChIInChI=1S/C17H18N6O/c1-11-4-6-14(7-5-11)21-17(24)22-15-8-18-16(19-9-15)23-10-20-12(2)13(23)3/h4-10H,1-3H3,(H2,21,22,24)
InChIKeyPCYDUZXDMCBHAS-UHFFFAOYSA-N
MW322.37 g/mol
LogP3.23
Rot. Bonds3

About 1-[2-(4,5-dimethylimidazol-1-yl)pyrimidin-5-yl]-3-(4-methylphenyl)urea

1-[2-(4,5-dimethylimidazol-1-yl)pyrimidin-5-yl]-3-(4-methylphenyl)urea (PubChem CID 121112815) has the molecular formula C17H18N6O and a molecular weight of 322.37 g/mol. Its IUPAC name is 1-[2-(4,5-dimethylimidazol-1-yl)pyrimidin-5-yl]-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-[2-(4,5-dimethylimidazol-1-yl)pyrimidin-5-yl]-3-(4-methylphenyl)urea
PubChem CID121112815
Molecular FormulaC17H18N6O
Molecular Weight322.37 g/mol
Exact Mass322.15
IUPAC Name1-[2-(4,5-dimethylimidazol-1-yl)pyrimidin-5-yl]-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2cnc(-n3cnc(C)c3C)nc2)cc1
InChIInChI=1S/C17H18N6O/c1-11-4-6-14(7-5-11)21-17(24)22-15-8-18-16(19-9-15)23-10-20-12(2)13(23)3/h4-10H,1-3H3,(H2,21,22,24)
InChIKeyPCYDUZXDMCBHAS-UHFFFAOYSA-N
XLogP3.23
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(4,5-dimethylimidazol-1-yl)pyrimidin-5-yl]-3-[3-(trifluoromethyl)phenyl]urea
CID 121112819
1-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-3-(4-methylphenyl)urea
CID 122313433
2-(4-chlorophenoxy)-N-[2-(4,5-dimethylimidazol-1-yl)pyrimidin-5-yl]acetamide
CID 121112722
N-[2-(4,5-dimethylimidazol-1-yl)pyrimidin-5-yl]-2-pyrimidin-2-yloxyacetamide
CID 121112734
1-(4-methylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)urea
CID 4885076
1-(6-chloro-3-pyridinyl)-3-(4-methylphenyl)urea
CID 47433187
1-(4-methylphenyl)-3-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]urea
CID 91968160
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1,5-dimethylpyrrole-3-carboxamide
CID 166327019
2-amino-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]acetamide
CID 167866582
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-6-methylpyridine-3-carboxamide
CID 166215479
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-methylbutanamide
CID 166215592
1-(4-methylphenyl)-3-[(4-methylphenyl)carbamoylamino]urea
CID 54178073

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4,5-dimethylimidazol-1-yl)pyrimidin-5-yl]-3-(4-methylphenyl)urea?
The IUPAC name of 1-[2-(4,5-dimethylimidazol-1-yl)pyrimidin-5-yl]-3-(4-methylphenyl)urea (CID 121112815) is 1-[2-(4,5-dimethylimidazol-1-yl)pyrimidin-5-yl]-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-[2-(4,5-dimethylimidazol-1-yl)pyrimidin-5-yl]-3-(4-methylphenyl)urea?
The canonical SMILES for 1-[2-(4,5-dimethylimidazol-1-yl)pyrimidin-5-yl]-3-(4-methylphenyl)urea is Cc1ccc(NC(=O)Nc2cnc(-n3cnc(C)c3C)nc2)cc1.
What is the InChIKey of 1-[2-(4,5-dimethylimidazol-1-yl)pyrimidin-5-yl]-3-(4-methylphenyl)urea?
The InChIKey is PCYDUZXDMCBHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O/c1-11-4-6-14(7-5-11)21-17(24)22-15-8-18-16(19-9-15)23-10-20-12(2)13(23)3/h4-10H,1-3H3,(H2,21,22,24).
What are the key properties of 1-[2-(4,5-dimethylimidazol-1-yl)pyrimidin-5-yl]-3-(4-methylphenyl)urea?
1-[2-(4,5-dimethylimidazol-1-yl)pyrimidin-5-yl]-3-(4-methylphenyl)urea has a molecular weight of 322.37 g/mol, XLogP of 3.23, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4,5-dimethylimidazol-1-yl)pyrimidin-5-yl]-3-(4-methylphenyl)urea is sourced from PubChem (CID 121112815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).