1-(4-chloro-6-methylpyrimidin-2-yl)-3-[3-methyl-4-(trifluoromethoxy)phenyl]urea

C14H12ClF3N4O2 — CID 134284697

IUPAC1-(4-chloro-6-methylpyrimidin-2-yl)-3-[3-methyl-4-(trifluoromethoxy)phenyl]urea
SMILESCc1cc(Cl)nc(NC(=O)Nc2ccc(OC(F)(F)F)c(C)c2)n1
InChIInChI=1S/C14H12ClF3N4O2/c1-7-5-9(3-4-10(7)24-14(16,17)18)20-13(23)22-12-19-8(2)6-11(15)21-12/h3-6H,1-2H3,(H2,19,20,21,22,23)
InChIKeyUVTBWLAXHJCZRV-UHFFFAOYSA-N
MW360.72 g/mol
LogP4.29
Rot. Bonds3

About 1-(4-chloro-6-methylpyrimidin-2-yl)-3-[3-methyl-4-(trifluoromethoxy)phenyl]urea

1-(4-chloro-6-methylpyrimidin-2-yl)-3-[3-methyl-4-(trifluoromethoxy)phenyl]urea (PubChem CID 134284697) has the molecular formula C14H12ClF3N4O2 and a molecular weight of 360.72 g/mol. Its IUPAC name is 1-(4-chloro-6-methylpyrimidin-2-yl)-3-[3-methyl-4-(trifluoromethoxy)phenyl]urea.

Molecular Properties

Compound Name1-(4-chloro-6-methylpyrimidin-2-yl)-3-[3-methyl-4-(trifluoromethoxy)phenyl]urea
PubChem CID134284697
Molecular FormulaC14H12ClF3N4O2
Molecular Weight360.72 g/mol
Exact Mass360.06
IUPAC Name1-(4-chloro-6-methylpyrimidin-2-yl)-3-[3-methyl-4-(trifluoromethoxy)phenyl]urea
SMILESCc1cc(Cl)nc(NC(=O)Nc2ccc(OC(F)(F)F)c(C)c2)n1
InChIInChI=1S/C14H12ClF3N4O2/c1-7-5-9(3-4-10(7)24-14(16,17)18)20-13(23)22-12-19-8(2)6-11(15)21-12/h3-6H,1-2H3,(H2,19,20,21,22,23)
InChIKeyUVTBWLAXHJCZRV-UHFFFAOYSA-N
XLogP4.29
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.72
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

CID 46861552
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CID 11957092
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CID 46914442
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CID 162643047
CID 162643047
CID 162656789
CID 162656789
CID 162673813
CID 162673813
CID 9604436
CID 9604436
CID 24287389
CID 24287389
CID 44458307
CID 44458307
CID 44458450
CID 44458450
CID 44458514
CID 44458514

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-6-methylpyrimidin-2-yl)-3-[3-methyl-4-(trifluoromethoxy)phenyl]urea?
The IUPAC name of 1-(4-chloro-6-methylpyrimidin-2-yl)-3-[3-methyl-4-(trifluoromethoxy)phenyl]urea (CID 134284697) is 1-(4-chloro-6-methylpyrimidin-2-yl)-3-[3-methyl-4-(trifluoromethoxy)phenyl]urea.
What is the SMILES notation for 1-(4-chloro-6-methylpyrimidin-2-yl)-3-[3-methyl-4-(trifluoromethoxy)phenyl]urea?
The canonical SMILES for 1-(4-chloro-6-methylpyrimidin-2-yl)-3-[3-methyl-4-(trifluoromethoxy)phenyl]urea is Cc1cc(Cl)nc(NC(=O)Nc2ccc(OC(F)(F)F)c(C)c2)n1.
What is the InChIKey of 1-(4-chloro-6-methylpyrimidin-2-yl)-3-[3-methyl-4-(trifluoromethoxy)phenyl]urea?
The InChIKey is UVTBWLAXHJCZRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF3N4O2/c1-7-5-9(3-4-10(7)24-14(16,17)18)20-13(23)22-12-19-8(2)6-11(15)21-12/h3-6H,1-2H3,(H2,19,20,21,22,23).
What are the key properties of 1-(4-chloro-6-methylpyrimidin-2-yl)-3-[3-methyl-4-(trifluoromethoxy)phenyl]urea?
1-(4-chloro-6-methylpyrimidin-2-yl)-3-[3-methyl-4-(trifluoromethoxy)phenyl]urea has a molecular weight of 360.72 g/mol, XLogP of 4.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-6-methylpyrimidin-2-yl)-3-[3-methyl-4-(trifluoromethoxy)phenyl]urea is sourced from PubChem (CID 134284697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).