(4R)-4-(2,6-dichlorophenyl)-6-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide

C19H14Cl2F3N3O2 — CID 25401847

IUPAC(4R)-4-(2,6-dichlorophenyl)-6-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@H](c2c(Cl)cccc2Cl)NC(=O)N1
InChIInChI=1S/C19H14Cl2F3N3O2/c1-9-14(17(28)26-11-5-2-4-10(8-11)19(22,23)24)16(27-18(29)25-9)15-12(20)6-3-7-13(15)21/h2-8,16H,1H3,(H,26,28)(H2,25,27,29)/t16-/m1/s1
InChIKeyUCBUOHULJPFDJW-MRXNPFEDSA-N
MW444.24 g/mol
LogP5.28
Rot. Bonds3

About (4R)-4-(2,6-dichlorophenyl)-6-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide

(4R)-4-(2,6-dichlorophenyl)-6-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide (PubChem CID 25401847) has the molecular formula C19H14Cl2F3N3O2 and a molecular weight of 444.24 g/mol. Its IUPAC name is (4R)-4-(2,6-dichlorophenyl)-6-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name(4R)-4-(2,6-dichlorophenyl)-6-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide
PubChem CID25401847
Molecular FormulaC19H14Cl2F3N3O2
Molecular Weight444.24 g/mol
Exact Mass443.04
IUPAC Name(4R)-4-(2,6-dichlorophenyl)-6-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@H](c2c(Cl)cccc2Cl)NC(=O)N1
InChIInChI=1S/C19H14Cl2F3N3O2/c1-9-14(17(28)26-11-5-2-4-10(8-11)19(22,23)24)16(27-18(29)25-9)15-12(20)6-3-7-13(15)21/h2-8,16H,1H3,(H,26,28)(H2,25,27,29)/t16-/m1/s1
InChIKeyUCBUOHULJPFDJW-MRXNPFEDSA-N
XLogP5.28
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.24
LogP ≤ 55.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-4-(2,6-dichlorophenyl)-6-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 25401843
acetic acid;4-(2,4-dichlorophenyl)-6-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 2980594
6-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 3956275
4-(2,6-dichlorophenyl)-N-(3,4-difluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 2922091
(4S)-4-(3-fluorophenyl)-6-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 7860298
4-(2,5-dimethylphenyl)-6-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 4992882
(4S)-4-(2,6-dichlorophenyl)-6-methyl-N-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 1235054
4-(4-cyanophenyl)-6-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 4830603
4-(2,4-dimethoxyphenyl)-6-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 3931022
(4R)-4-(2,4-dimethoxyphenyl)-6-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 41114782
(4R)-N-(3-chlorophenyl)-4-(2,6-difluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 8812872
4-(4-chlorophenyl)-2,6-dimethyl-3-N,5-N-bis[3-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxamide
CID 162538002

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(2,6-dichlorophenyl)-6-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The IUPAC name of (4R)-4-(2,6-dichlorophenyl)-6-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide (CID 25401847) is (4R)-4-(2,6-dichlorophenyl)-6-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for (4R)-4-(2,6-dichlorophenyl)-6-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The canonical SMILES for (4R)-4-(2,6-dichlorophenyl)-6-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide is CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@H](c2c(Cl)cccc2Cl)NC(=O)N1.
What is the InChIKey of (4R)-4-(2,6-dichlorophenyl)-6-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The InChIKey is UCBUOHULJPFDJW-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H14Cl2F3N3O2/c1-9-14(17(28)26-11-5-2-4-10(8-11)19(22,23)24)16(27-18(29)25-9)15-12(20)6-3-7-13(15)21/h2-8,16H,1H3,(H,26,28)(H2,25,27,29)/t16-/m1/s1.
What are the key properties of (4R)-4-(2,6-dichlorophenyl)-6-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide?
(4R)-4-(2,6-dichlorophenyl)-6-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide has a molecular weight of 444.24 g/mol, XLogP of 5.28, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(2,6-dichlorophenyl)-6-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 25401847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).