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

C20H16F5N3O3 — CID 41039318

IUPAC(4R)-4-[2-(difluoromethoxy)phenyl]-6-methyl-2-oxo-N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@@H](c2ccccc2OC(F)F)NC(=O)N1
InChIInChI=1S/C20H16F5N3O3/c1-10-15(17(29)27-13-8-4-3-7-12(13)20(23,24)25)16(28-19(30)26-10)11-6-2-5-9-14(11)31-18(21)22/h2-9,16,18H,1H3,(H,27,29)(H2,26,28,30)/t16-/m1/s1
InChIKeyPCPKEVRUZMKUNV-MRXNPFEDSA-N
MW441.36 g/mol
LogP4.57
Rot. Bonds5

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

(4R)-4-[2-(difluoromethoxy)phenyl]-6-methyl-2-oxo-N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide (PubChem CID 41039318) has the molecular formula C20H16F5N3O3 and a molecular weight of 441.36 g/mol. Its IUPAC name is (4R)-4-[2-(difluoromethoxy)phenyl]-6-methyl-2-oxo-N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name(4R)-4-[2-(difluoromethoxy)phenyl]-6-methyl-2-oxo-N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide
PubChem CID41039318
Molecular FormulaC20H16F5N3O3
Molecular Weight441.36 g/mol
Exact Mass441.11
IUPAC Name(4R)-4-[2-(difluoromethoxy)phenyl]-6-methyl-2-oxo-N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@@H](c2ccccc2OC(F)F)NC(=O)N1
InChIInChI=1S/C20H16F5N3O3/c1-10-15(17(29)27-13-8-4-3-7-12(13)20(23,24)25)16(28-19(30)26-10)11-6-2-5-9-14(11)31-18(21)22/h2-9,16,18H,1H3,(H,27,29)(H2,26,28,30)/t16-/m1/s1
InChIKeyPCPKEVRUZMKUNV-MRXNPFEDSA-N
XLogP4.57
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.36
LogP ≤ 54.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-6-methyl-2-oxo-N,4-bis[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 41132844
(4S)-4-[2-(difluoromethoxy)phenyl]-6-methyl-2-oxo-N-(2-propan-2-ylphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 8652681
(4S)-4-(2,4-dimethoxyphenyl)-6-methyl-2-oxo-N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 41114796
(4R)-4-(4-fluorophenyl)-6-methyl-2-oxo-N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 7734081
(4S)-5-benzoyl-4-[2-(difluoromethoxy)phenyl]-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
CID 7714979
4-(2-methoxyphenyl)-6-methyl-N-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 46134950
N-(2-methoxyphenyl)-6-methyl-4-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 2921555
(4R)-4-(4-ethoxy-3-methoxyphenyl)-6-methyl-2-oxo-N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 41114807
(4S)-4-[2-(difluoromethoxy)phenyl]-N-(4-fluorophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 7810833
(4R)-4-(2-chlorophenyl)-N-(2-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 1124277
4-(2,3-dimethoxyphenyl)-N-(2-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 2879028
(4R)-N-(2-ethoxyphenyl)-6-methyl-4-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 991610

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[2-(difluoromethoxy)phenyl]-6-methyl-2-oxo-N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The IUPAC name of (4R)-4-[2-(difluoromethoxy)phenyl]-6-methyl-2-oxo-N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide (CID 41039318) is (4R)-4-[2-(difluoromethoxy)phenyl]-6-methyl-2-oxo-N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for (4R)-4-[2-(difluoromethoxy)phenyl]-6-methyl-2-oxo-N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The canonical SMILES for (4R)-4-[2-(difluoromethoxy)phenyl]-6-methyl-2-oxo-N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide is CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@@H](c2ccccc2OC(F)F)NC(=O)N1.
What is the InChIKey of (4R)-4-[2-(difluoromethoxy)phenyl]-6-methyl-2-oxo-N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The InChIKey is PCPKEVRUZMKUNV-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H16F5N3O3/c1-10-15(17(29)27-13-8-4-3-7-12(13)20(23,24)25)16(28-19(30)26-10)11-6-2-5-9-14(11)31-18(21)22/h2-9,16,18H,1H3,(H,27,29)(H2,26,28,30)/t16-/m1/s1.
What are the key properties of (4R)-4-[2-(difluoromethoxy)phenyl]-6-methyl-2-oxo-N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide?
(4R)-4-[2-(difluoromethoxy)phenyl]-6-methyl-2-oxo-N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide has a molecular weight of 441.36 g/mol, XLogP of 4.57, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[2-(difluoromethoxy)phenyl]-6-methyl-2-oxo-N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 41039318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).