(4R)-4-(1,3-benzodioxol-5-yl)-N-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide

C19H16ClN3O4 — CID 34064342

IUPAC(4R)-4-(1,3-benzodioxol-5-yl)-N-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccc3c(c2)OCO3)NC(=O)N1
InChIInChI=1S/C19H16ClN3O4/c1-10-16(18(24)22-13-5-3-12(20)4-6-13)17(23-19(25)21-10)11-2-7-14-15(8-11)27-9-26-14/h2-8,17H,9H2,1H3,(H,22,24)(H2,21,23,25)/t17-/m1/s1
InChIKeyHLPSUQRNSUFDRW-QGZVFWFLSA-N
MW385.81 g/mol
LogP3.34
Rot. Bonds3

About (4R)-4-(1,3-benzodioxol-5-yl)-N-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide

(4R)-4-(1,3-benzodioxol-5-yl)-N-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide (PubChem CID 34064342) has the molecular formula C19H16ClN3O4 and a molecular weight of 385.81 g/mol. Its IUPAC name is (4R)-4-(1,3-benzodioxol-5-yl)-N-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name(4R)-4-(1,3-benzodioxol-5-yl)-N-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
PubChem CID34064342
Molecular FormulaC19H16ClN3O4
Molecular Weight385.81 g/mol
Exact Mass385.08
IUPAC Name(4R)-4-(1,3-benzodioxol-5-yl)-N-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccc3c(c2)OCO3)NC(=O)N1
InChIInChI=1S/C19H16ClN3O4/c1-10-16(18(24)22-13-5-3-12(20)4-6-13)17(23-19(25)21-10)11-2-7-14-15(8-11)27-9-26-14/h2-8,17H,9H2,1H3,(H,22,24)(H2,21,23,25)/t17-/m1/s1
InChIKeyHLPSUQRNSUFDRW-QGZVFWFLSA-N
XLogP3.34
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.81
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-4-(1,3-benzodioxol-5-yl)-5-(4-chlorobenzoyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
CID 7858271
(4S)-4-(4-chlorophenyl)-6-methyl-N-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 1014349
N-(4-bromophenyl)-4-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 2861522
N-(4-chlorophenyl)-6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 2860777
(4R)-N-(4-chlorophenyl)-4-[4-(dimethylamino)phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 1083615
(4S)-4-(1,3-benzodioxol-5-yl)-6-methyl-N-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 1009548
(4S)-N,4-bis(4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 962637
(4R)-4-(3,4-dichlorophenyl)-N-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 7720759
(4S)-N-(5-chloro-2-methylphenyl)-4-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 7430706
(4R)-N-(5-chloro-2-methylphenyl)-4-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 7430707
1,3-benzodioxol-5-ylmethyl (4S)-4-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 1007250
(4R)-4-(2-bromophenyl)-N-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 1111631

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(1,3-benzodioxol-5-yl)-N-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The IUPAC name of (4R)-4-(1,3-benzodioxol-5-yl)-N-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide (CID 34064342) is (4R)-4-(1,3-benzodioxol-5-yl)-N-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for (4R)-4-(1,3-benzodioxol-5-yl)-N-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The canonical SMILES for (4R)-4-(1,3-benzodioxol-5-yl)-N-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide is CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccc3c(c2)OCO3)NC(=O)N1.
What is the InChIKey of (4R)-4-(1,3-benzodioxol-5-yl)-N-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The InChIKey is HLPSUQRNSUFDRW-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H16ClN3O4/c1-10-16(18(24)22-13-5-3-12(20)4-6-13)17(23-19(25)21-10)11-2-7-14-15(8-11)27-9-26-14/h2-8,17H,9H2,1H3,(H,22,24)(H2,21,23,25)/t17-/m1/s1.
What are the key properties of (4R)-4-(1,3-benzodioxol-5-yl)-N-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
(4R)-4-(1,3-benzodioxol-5-yl)-N-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide has a molecular weight of 385.81 g/mol, XLogP of 3.34, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(1,3-benzodioxol-5-yl)-N-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 34064342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).