(4R)-N-(2,5-dimethoxyphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide

C23H26FN5O4 — CID 26182157

IUPAC(4R)-N-(2,5-dimethoxyphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)[C@H]2CC(=O)NC(N3CCN(c4ccc(F)cc4)CC3)=N2)c1
InChIInChI=1S/C23H26FN5O4/c1-32-17-7-8-20(33-2)18(13-17)25-22(31)19-14-21(30)27-23(26-19)29-11-9-28(10-12-29)16-5-3-15(24)4-6-16/h3-8,13,19H,9-12,14H2,1-2H3,(H,25,31)(H,26,27,30)/t19-/m1/s1
InChIKeyPEHHYGPQGWWIJX-LJQANCHMSA-N
MW455.49 g/mol
LogP1.85
Rot. Bonds5

About (4R)-N-(2,5-dimethoxyphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide

(4R)-N-(2,5-dimethoxyphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide (PubChem CID 26182157) has the molecular formula C23H26FN5O4 and a molecular weight of 455.49 g/mol. Its IUPAC name is (4R)-N-(2,5-dimethoxyphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound Name(4R)-N-(2,5-dimethoxyphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide
PubChem CID26182157
Molecular FormulaC23H26FN5O4
Molecular Weight455.49 g/mol
Exact Mass455.20
IUPAC Name(4R)-N-(2,5-dimethoxyphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)[C@H]2CC(=O)NC(N3CCN(c4ccc(F)cc4)CC3)=N2)c1
InChIInChI=1S/C23H26FN5O4/c1-32-17-7-8-20(33-2)18(13-17)25-22(31)19-14-21(30)27-23(26-19)29-11-9-28(10-12-29)16-5-3-15(24)4-6-16/h3-8,13,19H,9-12,14H2,1-2H3,(H,25,31)(H,26,27,30)/t19-/m1/s1
InChIKeyPEHHYGPQGWWIJX-LJQANCHMSA-N
XLogP1.85
TPSA95.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.49
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(4R)-N-(2,5-dimethoxyphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide
CID 26182161
N-(2,5-dimethoxyphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide
CID 17121065
(4S)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-6-oxo-N-(4-phenoxyphenyl)-4,5-dihydro-1H-pyrimidine-4-carboxamide
CID 40814603
(4S)-2-(4-ethylpiperazin-1-yl)-N-(4-methoxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide
CID 2027293
N-(2,5-dimethoxyphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 6484636
(4S)-N-(4-fluorophenyl)-2-(4-methoxyanilino)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide
CID 26182756
(4R)-N-(4-fluorophenyl)-2-(4-methoxyanilino)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide
CID 26182757
(4S)-N-(2-ethoxyphenyl)-6-oxo-2-piperidin-1-yl-4,5-dihydro-1H-pyrimidine-4-carboxamide
CID 26182768
(4R)-6-oxo-2-(4-phenylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)-4,5-dihydro-1H-pyrimidine-4-carboxamide
CID 7413359
(3R)-N-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 39341475
(7R)-N-(2,5-dimethoxyphenyl)-2-methyl-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 136865734
N'-(2,5-dimethoxyphenyl)-N-(4-pyrrolidin-1-ylphenyl)oxamide
CID 108987415

Frequently Asked Questions

What is the IUPAC name of (4R)-N-(2,5-dimethoxyphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide?
The IUPAC name of (4R)-N-(2,5-dimethoxyphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide (CID 26182157) is (4R)-N-(2,5-dimethoxyphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for (4R)-N-(2,5-dimethoxyphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide?
The canonical SMILES for (4R)-N-(2,5-dimethoxyphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide is COc1ccc(OC)c(NC(=O)[C@H]2CC(=O)NC(N3CCN(c4ccc(F)cc4)CC3)=N2)c1.
What is the InChIKey of (4R)-N-(2,5-dimethoxyphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide?
The InChIKey is PEHHYGPQGWWIJX-LJQANCHMSA-N. The full InChI is InChI=1S/C23H26FN5O4/c1-32-17-7-8-20(33-2)18(13-17)25-22(31)19-14-21(30)27-23(26-19)29-11-9-28(10-12-29)16-5-3-15(24)4-6-16/h3-8,13,19H,9-12,14H2,1-2H3,(H,25,31)(H,26,27,30)/t19-/m1/s1.
What are the key properties of (4R)-N-(2,5-dimethoxyphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide?
(4R)-N-(2,5-dimethoxyphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide has a molecular weight of 455.49 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-(2,5-dimethoxyphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 26182157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).