(6S)-6-(4-fluorophenyl)-3-methyl-N-[2-methyl-5-(3-methyl-2,4-dioxopyrimidin-1-yl)phenyl]-2-oxo-1,6-dihydropyrimidine-5-carboxamide

C24H22FN5O4 — CID 70794776

IUPAC(6S)-6-(4-fluorophenyl)-3-methyl-N-[2-methyl-5-(3-methyl-2,4-dioxopyrimidin-1-yl)phenyl]-2-oxo-1,6-dihydropyrimidine-5-carboxamide
SMILESCc1ccc(-n2ccc(=O)n(C)c2=O)cc1NC(=O)C1=CN(C)C(=O)N[C@H]1c1ccc(F)cc1
InChIInChI=1S/C24H22FN5O4/c1-14-4-9-17(30-11-10-20(31)29(3)24(30)34)12-19(14)26-22(32)18-13-28(2)23(33)27-21(18)15-5-7-16(25)8-6-15/h4-13,21H,1-3H3,(H,26,32)(H,27,33)/t21-/m0/s1
InChIKeyJAKRKSKBLNQLKO-NRFANRHFSA-N
MW463.47 g/mol
LogP2.20
Rot. Bonds4

About (6S)-6-(4-fluorophenyl)-3-methyl-N-[2-methyl-5-(3-methyl-2,4-dioxopyrimidin-1-yl)phenyl]-2-oxo-1,6-dihydropyrimidine-5-carboxamide

(6S)-6-(4-fluorophenyl)-3-methyl-N-[2-methyl-5-(3-methyl-2,4-dioxopyrimidin-1-yl)phenyl]-2-oxo-1,6-dihydropyrimidine-5-carboxamide (PubChem CID 70794776) has the molecular formula C24H22FN5O4 and a molecular weight of 463.47 g/mol. Its IUPAC name is (6S)-6-(4-fluorophenyl)-3-methyl-N-[2-methyl-5-(3-methyl-2,4-dioxopyrimidin-1-yl)phenyl]-2-oxo-1,6-dihydropyrimidine-5-carboxamide.

Molecular Properties

Compound Name(6S)-6-(4-fluorophenyl)-3-methyl-N-[2-methyl-5-(3-methyl-2,4-dioxopyrimidin-1-yl)phenyl]-2-oxo-1,6-dihydropyrimidine-5-carboxamide
PubChem CID70794776
Molecular FormulaC24H22FN5O4
Molecular Weight463.47 g/mol
Exact Mass463.17
IUPAC Name(6S)-6-(4-fluorophenyl)-3-methyl-N-[2-methyl-5-(3-methyl-2,4-dioxopyrimidin-1-yl)phenyl]-2-oxo-1,6-dihydropyrimidine-5-carboxamide
SMILESCc1ccc(-n2ccc(=O)n(C)c2=O)cc1NC(=O)C1=CN(C)C(=O)N[C@H]1c1ccc(F)cc1
InChIInChI=1S/C24H22FN5O4/c1-14-4-9-17(30-11-10-20(31)29(3)24(30)34)12-19(14)26-22(32)18-13-28(2)23(33)27-21(18)15-5-7-16(25)8-6-15/h4-13,21H,1-3H3,(H,26,32)(H,27,33)/t21-/m0/s1
InChIKeyJAKRKSKBLNQLKO-NRFANRHFSA-N
XLogP2.20
TPSA105.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.47
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (6S)-6-(4-fluorophenyl)-3-methyl-N-[2-methyl-5-(3-methyl-2,4-dioxopyrimidin-1-yl)phenyl]-2-oxo-1,6-dihydropyrimidine-5-carboxamide with MolForge

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Related Compounds

5-acetyl-N-[3-[4-(2-carbamoylphenyl)piperazin-1-yl]propyl]-6-methyl-2-oxo-4-(3,4,5-trifluorophenyl)-1,4-dihydropyrimidine-3-carboxamide
CID 10556164
5-acetyl-N-[3-[4-(2-carbamoylphenyl)piperazin-1-yl]propyl]-4-(3,4-difluorophenyl)-6-methyl-2-oxo-1,4-dihydropyrimidine-3-carboxamide
CID 10674333
(6S)-6-(4-fluorophenyl)-3-methyl-N-[2-methyl-5-(2-oxo-1-pyridinyl)phenyl]-2-oxo-1,6-dihydropyrimidine-5-carboxamide
CID 70794829
3-N-[3-[4-(2-carbamoylphenyl)piperazin-1-yl]propyl]-4-(2,4-difluorophenyl)-6-ethyl-2-oxo-1,4-dihydropyrimidine-3,5-dicarboxamide
CID 10841851
N-[[4-[4-(5-methyl-2,4-dioxopyrimidin-1-yl)piperidin-1-yl]phenyl]methyl]-2,4-dinitrobenzamide
CID 162673815
N-[2,6-di(dimethylamino)benzyl]-N'-(2,6-difluorobenzoyl)urea
CID 2805433
2-(3-Fluorophenyl)-3-(4-methylphenyl)-1,2-dihydroquinazolin-4-one
CID 2887694
1-[(3,5-Difluorophenyl)methyl]-5-fluoro-2-[2-methyl-5-(2-oxopyrrolidin-1-yl)anilino]pyrimidin-4-one
CID 134291258
4-[4-(dimethylamino)phenyl]-6-methyl-2-oxo-N-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxamide
CID 659772
4-[4-(dimethylamino)phenyl]-6-methyl-N-(4-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide
CID 2851847
4-[4-(dimethylamino)phenyl]-N-(4-fluorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide
CID 2953124
4-(4-Diethylamino-phenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid phenylamide
CID 655829

Frequently Asked Questions

What is the IUPAC name of (6S)-6-(4-fluorophenyl)-3-methyl-N-[2-methyl-5-(3-methyl-2,4-dioxopyrimidin-1-yl)phenyl]-2-oxo-1,6-dihydropyrimidine-5-carboxamide?
The IUPAC name of (6S)-6-(4-fluorophenyl)-3-methyl-N-[2-methyl-5-(3-methyl-2,4-dioxopyrimidin-1-yl)phenyl]-2-oxo-1,6-dihydropyrimidine-5-carboxamide (CID 70794776) is (6S)-6-(4-fluorophenyl)-3-methyl-N-[2-methyl-5-(3-methyl-2,4-dioxopyrimidin-1-yl)phenyl]-2-oxo-1,6-dihydropyrimidine-5-carboxamide.
What is the SMILES notation for (6S)-6-(4-fluorophenyl)-3-methyl-N-[2-methyl-5-(3-methyl-2,4-dioxopyrimidin-1-yl)phenyl]-2-oxo-1,6-dihydropyrimidine-5-carboxamide?
The canonical SMILES for (6S)-6-(4-fluorophenyl)-3-methyl-N-[2-methyl-5-(3-methyl-2,4-dioxopyrimidin-1-yl)phenyl]-2-oxo-1,6-dihydropyrimidine-5-carboxamide is Cc1ccc(-n2ccc(=O)n(C)c2=O)cc1NC(=O)C1=CN(C)C(=O)N[C@H]1c1ccc(F)cc1.
What is the InChIKey of (6S)-6-(4-fluorophenyl)-3-methyl-N-[2-methyl-5-(3-methyl-2,4-dioxopyrimidin-1-yl)phenyl]-2-oxo-1,6-dihydropyrimidine-5-carboxamide?
The InChIKey is JAKRKSKBLNQLKO-NRFANRHFSA-N. The full InChI is InChI=1S/C24H22FN5O4/c1-14-4-9-17(30-11-10-20(31)29(3)24(30)34)12-19(14)26-22(32)18-13-28(2)23(33)27-21(18)15-5-7-16(25)8-6-15/h4-13,21H,1-3H3,(H,26,32)(H,27,33)/t21-/m0/s1.
What are the key properties of (6S)-6-(4-fluorophenyl)-3-methyl-N-[2-methyl-5-(3-methyl-2,4-dioxopyrimidin-1-yl)phenyl]-2-oxo-1,6-dihydropyrimidine-5-carboxamide?
(6S)-6-(4-fluorophenyl)-3-methyl-N-[2-methyl-5-(3-methyl-2,4-dioxopyrimidin-1-yl)phenyl]-2-oxo-1,6-dihydropyrimidine-5-carboxamide has a molecular weight of 463.47 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-(4-fluorophenyl)-3-methyl-N-[2-methyl-5-(3-methyl-2,4-dioxopyrimidin-1-yl)phenyl]-2-oxo-1,6-dihydropyrimidine-5-carboxamide is sourced from PubChem (CID 70794776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).