1-(4-chloro-6-methylpyrimidin-2-yl)-3-(3-chlorophenyl)urea

C12H10Cl2N4O — CID 2306588

IUPAC1-(4-chloro-6-methylpyrimidin-2-yl)-3-(3-chlorophenyl)urea
SMILESCc1cc(Cl)nc(NC(=O)Nc2cccc(Cl)c2)n1
InChIInChI=1S/C12H10Cl2N4O/c1-7-5-10(14)17-11(15-7)18-12(19)16-9-4-2-3-8(13)6-9/h2-6H,1H3,(H2,15,16,17,18,19)
InChIKeyZXVOEFFGWCXKKH-UHFFFAOYSA-N
MW297.15 g/mol
LogP3.74
Rot. Bonds2

About 1-(4-chloro-6-methylpyrimidin-2-yl)-3-(3-chlorophenyl)urea

1-(4-chloro-6-methylpyrimidin-2-yl)-3-(3-chlorophenyl)urea (PubChem CID 2306588) has the molecular formula C12H10Cl2N4O and a molecular weight of 297.15 g/mol. Its IUPAC name is 1-(4-chloro-6-methylpyrimidin-2-yl)-3-(3-chlorophenyl)urea.

Molecular Properties

Compound Name1-(4-chloro-6-methylpyrimidin-2-yl)-3-(3-chlorophenyl)urea
PubChem CID2306588
Molecular FormulaC12H10Cl2N4O
Molecular Weight297.15 g/mol
Exact Mass296.02
IUPAC Name1-(4-chloro-6-methylpyrimidin-2-yl)-3-(3-chlorophenyl)urea
SMILESCc1cc(Cl)nc(NC(=O)Nc2cccc(Cl)c2)n1
InChIInChI=1S/C12H10Cl2N4O/c1-7-5-10(14)17-11(15-7)18-12(19)16-9-4-2-3-8(13)6-9/h2-6H,1H3,(H2,15,16,17,18,19)
InChIKeyZXVOEFFGWCXKKH-UHFFFAOYSA-N
XLogP3.74
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.15
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Pyrimethanil
CID 91650
1-(4,6-Dimethyl-2-pyrimidinyl)-3-phenylguanidine
CID 9570316
1-(3,4-Dichlorophenyl)-3-(6-methylpyridin-2-yl)urea
CID 684089
N4-(3,5-dichlorophenyl)-6-methylpyrimidine-2,4-diamine
CID 2730123
Urea, 1-(p-chlorophenyl)-3-(4,6-dimethyl-2-pyrimidinyl)-
CID 204267
Urea, 1-(4,6-dimethyl-2-pyrimidinyl)-3-phenyl-
CID 204268
GUANIDINE, 1-(p-CHLOROPHENYL)-3-(4,6-DIMETHYL-2-PYRIMIDINYL)-
CID 5726586
N-(4,6-Dimethylpyrimidin-2-yl)benzene-1,4-diamine
CID 735909
N-(3-Chlorophenyl)-N'-(2-pyrimidinyl)urea
CID 840362
N-[4-(4,6-Dimethyl-pyrimidin-2-ylamino)-phenyl]-acetamide
CID 734481
1-(4-Chlorophenyl)-3-(6-methylpyridin-2-yl)urea
CID 836687
N-(2,4-difluorophenyl)-N'-(4,6-dimethyl-2-pyrimidinyl)urea
CID 971626

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-6-methylpyrimidin-2-yl)-3-(3-chlorophenyl)urea?
The IUPAC name of 1-(4-chloro-6-methylpyrimidin-2-yl)-3-(3-chlorophenyl)urea (CID 2306588) is 1-(4-chloro-6-methylpyrimidin-2-yl)-3-(3-chlorophenyl)urea.
What is the SMILES notation for 1-(4-chloro-6-methylpyrimidin-2-yl)-3-(3-chlorophenyl)urea?
The canonical SMILES for 1-(4-chloro-6-methylpyrimidin-2-yl)-3-(3-chlorophenyl)urea is Cc1cc(Cl)nc(NC(=O)Nc2cccc(Cl)c2)n1.
What is the InChIKey of 1-(4-chloro-6-methylpyrimidin-2-yl)-3-(3-chlorophenyl)urea?
The InChIKey is ZXVOEFFGWCXKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N4O/c1-7-5-10(14)17-11(15-7)18-12(19)16-9-4-2-3-8(13)6-9/h2-6H,1H3,(H2,15,16,17,18,19).
What are the key properties of 1-(4-chloro-6-methylpyrimidin-2-yl)-3-(3-chlorophenyl)urea?
1-(4-chloro-6-methylpyrimidin-2-yl)-3-(3-chlorophenyl)urea has a molecular weight of 297.15 g/mol, XLogP of 3.74, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-6-methylpyrimidin-2-yl)-3-(3-chlorophenyl)urea is sourced from PubChem (CID 2306588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).