(4R)-6-methyl-N-(4-nitrophenyl)-2-oxo-4-phenylmethoxy-3,4-dihydro-1H-pyrimidine-5-carboxamide

C19H18N4O5 — CID 34064325

IUPAC(4R)-6-methyl-N-(4-nitrophenyl)-2-oxo-4-phenylmethoxy-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](OCc2ccccc2)NC(=O)N1
InChIInChI=1S/C19H18N4O5/c1-12-16(17(24)21-14-7-9-15(10-8-14)23(26)27)18(22-19(25)20-12)28-11-13-5-3-2-4-6-13/h2-10,18H,11H2,1H3,(H,21,24)(H2,20,22,25)/t18-/m1/s1
InChIKeyZWNQUFXAZQEDCP-GOSISDBHSA-N
MW382.38 g/mol
LogP2.66
Rot. Bonds6

About (4R)-6-methyl-N-(4-nitrophenyl)-2-oxo-4-phenylmethoxy-3,4-dihydro-1H-pyrimidine-5-carboxamide

(4R)-6-methyl-N-(4-nitrophenyl)-2-oxo-4-phenylmethoxy-3,4-dihydro-1H-pyrimidine-5-carboxamide (PubChem CID 34064325) has the molecular formula C19H18N4O5 and a molecular weight of 382.38 g/mol. Its IUPAC name is (4R)-6-methyl-N-(4-nitrophenyl)-2-oxo-4-phenylmethoxy-3,4-dihydro-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name(4R)-6-methyl-N-(4-nitrophenyl)-2-oxo-4-phenylmethoxy-3,4-dihydro-1H-pyrimidine-5-carboxamide
PubChem CID34064325
Molecular FormulaC19H18N4O5
Molecular Weight382.38 g/mol
Exact Mass382.13
IUPAC Name(4R)-6-methyl-N-(4-nitrophenyl)-2-oxo-4-phenylmethoxy-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](OCc2ccccc2)NC(=O)N1
InChIInChI=1S/C19H18N4O5/c1-12-16(17(24)21-14-7-9-15(10-8-14)23(26)27)18(22-19(25)20-12)28-11-13-5-3-2-4-6-13/h2-10,18H,11H2,1H3,(H,21,24)(H2,20,22,25)/t18-/m1/s1
InChIKeyZWNQUFXAZQEDCP-GOSISDBHSA-N
XLogP2.66
TPSA122.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.38
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(4R)-4-(3-methoxy-4-phenylmethoxyphenyl)-6-methyl-N-(4-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 41114771
4-(2,6-difluorophenyl)-6-methyl-N-(4-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 5084339
(4R)-4-(4-fluorophenyl)-6-methyl-N-(4-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 7800354
6-methyl-4-(3-methylphenyl)-N-(4-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 44786950
6-methyl-N-(4-nitrophenyl)-2-oxo-4-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 3586227
N-(3,4-difluorophenyl)-6-methyl-4-(4-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 2908912
(4-nitrophenyl)methyl 2-(phenylcarbamoyl)benzoate
CID 122605255
6-methyl-N-(4-nitrophenyl)-2-oxo-4-[4-(5-phenyl-3,4-dihydropyrazol-2-yl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 3941763
(4S)-6-methyl-4-(2-methylphenyl)-N-(3-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 7858276
(4S)-6-methyl-4-(4-morpholin-4-ylphenyl)-N-(4-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 41072874
1-(4-nitrophenyl)-3-(4-phenylmethoxyphenyl)urea
CID 2956271
(4R)-6-methyl-N-(3-nitrophenyl)-2-oxo-4-(2,4,6-trimethylphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 2475421

Frequently Asked Questions

What is the IUPAC name of (4R)-6-methyl-N-(4-nitrophenyl)-2-oxo-4-phenylmethoxy-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The IUPAC name of (4R)-6-methyl-N-(4-nitrophenyl)-2-oxo-4-phenylmethoxy-3,4-dihydro-1H-pyrimidine-5-carboxamide (CID 34064325) is (4R)-6-methyl-N-(4-nitrophenyl)-2-oxo-4-phenylmethoxy-3,4-dihydro-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for (4R)-6-methyl-N-(4-nitrophenyl)-2-oxo-4-phenylmethoxy-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The canonical SMILES for (4R)-6-methyl-N-(4-nitrophenyl)-2-oxo-4-phenylmethoxy-3,4-dihydro-1H-pyrimidine-5-carboxamide is CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](OCc2ccccc2)NC(=O)N1.
What is the InChIKey of (4R)-6-methyl-N-(4-nitrophenyl)-2-oxo-4-phenylmethoxy-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The InChIKey is ZWNQUFXAZQEDCP-GOSISDBHSA-N. The full InChI is InChI=1S/C19H18N4O5/c1-12-16(17(24)21-14-7-9-15(10-8-14)23(26)27)18(22-19(25)20-12)28-11-13-5-3-2-4-6-13/h2-10,18H,11H2,1H3,(H,21,24)(H2,20,22,25)/t18-/m1/s1.
What are the key properties of (4R)-6-methyl-N-(4-nitrophenyl)-2-oxo-4-phenylmethoxy-3,4-dihydro-1H-pyrimidine-5-carboxamide?
(4R)-6-methyl-N-(4-nitrophenyl)-2-oxo-4-phenylmethoxy-3,4-dihydro-1H-pyrimidine-5-carboxamide has a molecular weight of 382.38 g/mol, XLogP of 2.66, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-methyl-N-(4-nitrophenyl)-2-oxo-4-phenylmethoxy-3,4-dihydro-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 34064325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).