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

C13H12F2N4O — CID 971626

IUPAC1-(2,4-difluorophenyl)-3-(4,6-dimethylpyrimidin-2-yl)urea
SMILESCc1cc(C)nc(NC(=O)Nc2ccc(F)cc2F)n1
InChIInChI=1S/C13H12F2N4O/c1-7-5-8(2)17-12(16-7)19-13(20)18-11-4-3-9(14)6-10(11)15/h3-6H,1-2H3,(H2,16,17,18,19,20)
InChIKeyCNSGAFSXZSRGRQ-UHFFFAOYSA-N
MW278.26 g/mol
LogP3.02
Rot. Bonds2

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

1-(2,4-difluorophenyl)-3-(4,6-dimethylpyrimidin-2-yl)urea (PubChem CID 971626) has the molecular formula C13H12F2N4O and a molecular weight of 278.26 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-(4,6-dimethylpyrimidin-2-yl)urea.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-(4,6-dimethylpyrimidin-2-yl)urea
PubChem CID971626
Molecular FormulaC13H12F2N4O
Molecular Weight278.26 g/mol
Exact Mass278.10
IUPAC Name1-(2,4-difluorophenyl)-3-(4,6-dimethylpyrimidin-2-yl)urea
SMILESCc1cc(C)nc(NC(=O)Nc2ccc(F)cc2F)n1
InChIInChI=1S/C13H12F2N4O/c1-7-5-8(2)17-12(16-7)19-13(20)18-11-4-3-9(14)6-10(11)15/h3-6H,1-2H3,(H2,16,17,18,19,20)
InChIKeyCNSGAFSXZSRGRQ-UHFFFAOYSA-N
XLogP3.02
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Pyrimethanil
CID 91650
Cyprodinil
CID 86367
Mepanipyrim
CID 86296
4,6-dimethyl-N-(4-nitrophenyl)pyrimidin-2-amine
CID 4427235
N-(6-Methyl-2-pyridinyl)-N'-phenylurea
CID 306458
1-(4,6-Dimethyl-2-pyrimidinyl)-3-phenylguanidine
CID 9570316
1-(4-Fluorophenyl)-3-(6-methylpyridin-2-yl)urea
CID 310683
1-(4-Chloro-6-methylpyrimidin-2-yl)-3-(3-chlorophenyl)urea
CID 2306588
[6-Methyl-2-(phenylamino)pyrimidin-4-yl]phenylamine
CID 673737
Urea, 1-(p-chlorophenyl)-3-(4,6-dimethyl-2-pyrimidinyl)-
CID 204267
1-(4,6-Dimethyl-2-pyrimidinyl)-3-(p-nitrophenyl)guanidine
CID 5727345
Urea, 1-(4,6-dimethyl-2-pyrimidinyl)-3-phenyl-
CID 204268

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-(4,6-dimethylpyrimidin-2-yl)urea?
The IUPAC name of 1-(2,4-difluorophenyl)-3-(4,6-dimethylpyrimidin-2-yl)urea (CID 971626) is 1-(2,4-difluorophenyl)-3-(4,6-dimethylpyrimidin-2-yl)urea.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-(4,6-dimethylpyrimidin-2-yl)urea?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-(4,6-dimethylpyrimidin-2-yl)urea is Cc1cc(C)nc(NC(=O)Nc2ccc(F)cc2F)n1.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-(4,6-dimethylpyrimidin-2-yl)urea?
The InChIKey is CNSGAFSXZSRGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N4O/c1-7-5-8(2)17-12(16-7)19-13(20)18-11-4-3-9(14)6-10(11)15/h3-6H,1-2H3,(H2,16,17,18,19,20).
What are the key properties of 1-(2,4-difluorophenyl)-3-(4,6-dimethylpyrimidin-2-yl)urea?
1-(2,4-difluorophenyl)-3-(4,6-dimethylpyrimidin-2-yl)urea has a molecular weight of 278.26 g/mol, XLogP of 3.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-(4,6-dimethylpyrimidin-2-yl)urea is sourced from PubChem (CID 971626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).