(6R)-6-(2,4-difluorophenyl)-N-(2-methoxyphenyl)-4-methyl-2-oxo-3-propan-2-yl-1,6-dihydropyrimidine-5-carboxamide

C22H23F2N3O3 — CID 9449209

IUPAC(6R)-6-(2,4-difluorophenyl)-N-(2-methoxyphenyl)-4-methyl-2-oxo-3-propan-2-yl-1,6-dihydropyrimidine-5-carboxamide
SMILESCOc1ccccc1NC(=O)C1=C(C)N(C(C)C)C(=O)N[C@H]1c1ccc(F)cc1F
InChIInChI=1S/C22H23F2N3O3/c1-12(2)27-13(3)19(21(28)25-17-7-5-6-8-18(17)30-4)20(26-22(27)29)15-10-9-14(23)11-16(15)24/h5-12,20H,1-4H3,(H,25,28)(H,26,29)/t20-/m0/s1
InChIKeyFMTKZQHJPYMFQO-FQEVSTJZSA-N
MW415.44 g/mol
LogP4.36
Rot. Bonds5

About (6R)-6-(2,4-difluorophenyl)-N-(2-methoxyphenyl)-4-methyl-2-oxo-3-propan-2-yl-1,6-dihydropyrimidine-5-carboxamide

(6R)-6-(2,4-difluorophenyl)-N-(2-methoxyphenyl)-4-methyl-2-oxo-3-propan-2-yl-1,6-dihydropyrimidine-5-carboxamide (PubChem CID 9449209) has the molecular formula C22H23F2N3O3 and a molecular weight of 415.44 g/mol. Its IUPAC name is (6R)-6-(2,4-difluorophenyl)-N-(2-methoxyphenyl)-4-methyl-2-oxo-3-propan-2-yl-1,6-dihydropyrimidine-5-carboxamide.

Molecular Properties

Compound Name(6R)-6-(2,4-difluorophenyl)-N-(2-methoxyphenyl)-4-methyl-2-oxo-3-propan-2-yl-1,6-dihydropyrimidine-5-carboxamide
PubChem CID9449209
Molecular FormulaC22H23F2N3O3
Molecular Weight415.44 g/mol
Exact Mass415.17
IUPAC Name(6R)-6-(2,4-difluorophenyl)-N-(2-methoxyphenyl)-4-methyl-2-oxo-3-propan-2-yl-1,6-dihydropyrimidine-5-carboxamide
SMILESCOc1ccccc1NC(=O)C1=C(C)N(C(C)C)C(=O)N[C@H]1c1ccc(F)cc1F
InChIInChI=1S/C22H23F2N3O3/c1-12(2)27-13(3)19(21(28)25-17-7-5-6-8-18(17)30-4)20(26-22(27)29)15-10-9-14(23)11-16(15)24/h5-12,20H,1-4H3,(H,25,28)(H,26,29)/t20-/m0/s1
InChIKeyFMTKZQHJPYMFQO-FQEVSTJZSA-N
XLogP4.36
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.44
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(6R)-6-(3-fluorophenyl)-N-(2-methoxyphenyl)-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide
CID 8650834
(6S)-6-(3-fluorophenyl)-N-(2-methoxyphenyl)-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide
CID 8650830
methyl (6R)-6-(3-fluorophenyl)-4-methyl-2-oxo-3-propan-2-yl-1,6-dihydropyrimidine-5-carboxylate
CID 9449148
4-(2,3-dimethoxyphenyl)-N-(2-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 2879028
N-(2-methoxyphenyl)-6-methyl-4-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 2921555
methyl (6S)-6-(2,4-difluorophenyl)-3-[(2R)-1-methoxypropan-2-yl]-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate
CID 9449535
methyl 6-(2,4-difluorophenyl)-3-ethyl-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 17442427
N-(2-methoxyphenyl)-6-methyl-2-oxo-4-(2,4,6-trimethylphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 4079326
(4S)-6-methyl-N-(2-methylphenyl)-2-oxo-4-(2,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 1124466
(4S)-N-(2-methoxyphenyl)-6-methyl-2-oxo-4-(2,4,6-trimethylphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 7715268
(4R)-N-(2-methoxyphenyl)-6-methyl-2-oxo-4-(2,4,6-trimethylphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 7715267
(4R)-4-(2-chlorophenyl)-N-(2-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 1124277

Frequently Asked Questions

What is the IUPAC name of (6R)-6-(2,4-difluorophenyl)-N-(2-methoxyphenyl)-4-methyl-2-oxo-3-propan-2-yl-1,6-dihydropyrimidine-5-carboxamide?
The IUPAC name of (6R)-6-(2,4-difluorophenyl)-N-(2-methoxyphenyl)-4-methyl-2-oxo-3-propan-2-yl-1,6-dihydropyrimidine-5-carboxamide (CID 9449209) is (6R)-6-(2,4-difluorophenyl)-N-(2-methoxyphenyl)-4-methyl-2-oxo-3-propan-2-yl-1,6-dihydropyrimidine-5-carboxamide.
What is the SMILES notation for (6R)-6-(2,4-difluorophenyl)-N-(2-methoxyphenyl)-4-methyl-2-oxo-3-propan-2-yl-1,6-dihydropyrimidine-5-carboxamide?
The canonical SMILES for (6R)-6-(2,4-difluorophenyl)-N-(2-methoxyphenyl)-4-methyl-2-oxo-3-propan-2-yl-1,6-dihydropyrimidine-5-carboxamide is COc1ccccc1NC(=O)C1=C(C)N(C(C)C)C(=O)N[C@H]1c1ccc(F)cc1F.
What is the InChIKey of (6R)-6-(2,4-difluorophenyl)-N-(2-methoxyphenyl)-4-methyl-2-oxo-3-propan-2-yl-1,6-dihydropyrimidine-5-carboxamide?
The InChIKey is FMTKZQHJPYMFQO-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H23F2N3O3/c1-12(2)27-13(3)19(21(28)25-17-7-5-6-8-18(17)30-4)20(26-22(27)29)15-10-9-14(23)11-16(15)24/h5-12,20H,1-4H3,(H,25,28)(H,26,29)/t20-/m0/s1.
What are the key properties of (6R)-6-(2,4-difluorophenyl)-N-(2-methoxyphenyl)-4-methyl-2-oxo-3-propan-2-yl-1,6-dihydropyrimidine-5-carboxamide?
(6R)-6-(2,4-difluorophenyl)-N-(2-methoxyphenyl)-4-methyl-2-oxo-3-propan-2-yl-1,6-dihydropyrimidine-5-carboxamide has a molecular weight of 415.44 g/mol, XLogP of 4.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-(2,4-difluorophenyl)-N-(2-methoxyphenyl)-4-methyl-2-oxo-3-propan-2-yl-1,6-dihydropyrimidine-5-carboxamide is sourced from PubChem (CID 9449209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).