1-(2-chlorophenyl)-3-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]urea

C15H14ClF3N4O — CID 71797025

IUPAC1-(2-chlorophenyl)-3-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]urea
SMILESCc1cc(C(F)(F)F)nc(CCNC(=O)Nc2ccccc2Cl)n1
InChIInChI=1S/C15H14ClF3N4O/c1-9-8-12(15(17,18)19)23-13(21-9)6-7-20-14(24)22-11-5-3-2-4-10(11)16/h2-5,8H,6-7H2,1H3,(H2,20,22,24)
InChIKeyQRZGCWDNJAQMIM-UHFFFAOYSA-N
MW358.75 g/mol
LogP3.82
Rot. Bonds4

About 1-(2-chlorophenyl)-3-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]urea

1-(2-chlorophenyl)-3-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]urea (PubChem CID 71797025) has the molecular formula C15H14ClF3N4O and a molecular weight of 358.75 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]urea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]urea
PubChem CID71797025
Molecular FormulaC15H14ClF3N4O
Molecular Weight358.75 g/mol
Exact Mass358.08
IUPAC Name1-(2-chlorophenyl)-3-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]urea
SMILESCc1cc(C(F)(F)F)nc(CCNC(=O)Nc2ccccc2Cl)n1
InChIInChI=1S/C15H14ClF3N4O/c1-9-8-12(15(17,18)19)23-13(21-9)6-7-20-14(24)22-11-5-3-2-4-10(11)16/h2-5,8H,6-7H2,1H3,(H2,20,22,24)
InChIKeyQRZGCWDNJAQMIM-UHFFFAOYSA-N
XLogP3.82
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.75
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-3-phenylpropanamide
CID 71796953
2-methoxy-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]benzamide
CID 71796955
N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-pyridin-2-ylsulfanylacetamide
CID 91777835
(2R)-2-(dimethylamino)-2-(3-methylphenyl)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]acetamide
CID 97186982
3-(furan-2-yl)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]prop-2-enamide
CID 71960531
2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]acetamide
CID 97151501
N-[2-[(2-chlorophenyl)carbamoylamino]ethyl]acetamide
CID 47103341
N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2H-benzotriazole-5-carboxamide
CID 77085196
3-methoxy-1-methyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]pyrazole-4-carboxamide
CID 71796959
1-(2-chlorophenyl)-3-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]urea
CID 6625488
1-(2-chlorophenyl)-3-[2-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]ethyl]urea
CID 121075626
1-[2-(2-chlorophenyl)ethyl]-3-[4-chloro-2-(trifluoromethyl)phenyl]urea
CID 108900378

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]urea?
The IUPAC name of 1-(2-chlorophenyl)-3-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]urea (CID 71797025) is 1-(2-chlorophenyl)-3-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]urea.
What is the SMILES notation for 1-(2-chlorophenyl)-3-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]urea?
The canonical SMILES for 1-(2-chlorophenyl)-3-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]urea is Cc1cc(C(F)(F)F)nc(CCNC(=O)Nc2ccccc2Cl)n1.
What is the InChIKey of 1-(2-chlorophenyl)-3-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]urea?
The InChIKey is QRZGCWDNJAQMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF3N4O/c1-9-8-12(15(17,18)19)23-13(21-9)6-7-20-14(24)22-11-5-3-2-4-10(11)16/h2-5,8H,6-7H2,1H3,(H2,20,22,24).
What are the key properties of 1-(2-chlorophenyl)-3-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]urea?
1-(2-chlorophenyl)-3-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]urea has a molecular weight of 358.75 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]urea is sourced from PubChem (CID 71797025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).