(4S)-4-(4-butoxyphenyl)-6-methyl-2-oxo-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide

C22H25N3O3 — CID 7858309

IUPAC(4S)-4-(4-butoxyphenyl)-6-methyl-2-oxo-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCCCCOc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C22H25N3O3/c1-3-4-14-28-18-12-10-16(11-13-18)20-19(15(2)23-22(27)25-20)21(26)24-17-8-6-5-7-9-17/h5-13,20H,3-4,14H2,1-2H3,(H,24,26)(H2,23,25,27)/t20-/m0/s1
InChIKeyMPYNUJWOHXDAHP-FQEVSTJZSA-N
MW379.46 g/mol
LogP4.13
Rot. Bonds7

About (4S)-4-(4-butoxyphenyl)-6-methyl-2-oxo-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide

(4S)-4-(4-butoxyphenyl)-6-methyl-2-oxo-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide (PubChem CID 7858309) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is (4S)-4-(4-butoxyphenyl)-6-methyl-2-oxo-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name(4S)-4-(4-butoxyphenyl)-6-methyl-2-oxo-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide
PubChem CID7858309
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name(4S)-4-(4-butoxyphenyl)-6-methyl-2-oxo-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCCCCOc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C22H25N3O3/c1-3-4-14-28-18-12-10-16(11-13-18)20-19(15(2)23-22(27)25-20)21(26)24-17-8-6-5-7-9-17/h5-13,20H,3-4,14H2,1-2H3,(H,24,26)(H2,23,25,27)/t20-/m0/s1
InChIKeyMPYNUJWOHXDAHP-FQEVSTJZSA-N
XLogP4.13
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (4S)-4-(4-butoxyphenyl)-6-methyl-2-oxo-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide with MolForge

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Related Compounds

6-methyl-4-(4-pentoxyphenyl)-N-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 3729149
(4R)-N-(4-bromophenyl)-4-(4-ethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 40840577
(4S)-4-(4-tert-butylphenyl)-6-methyl-2-oxo-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 7798160
6-methyl-4-(4-methylsulfanylphenyl)-2-oxo-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 3562251
4-(3-ethoxy-4-hydroxyphenyl)-6-methyl-2-oxo-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 4770389
4-(4-ethoxyphenyl)-N-(2-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 2945156
(4S)-N-(2-ethoxyphenyl)-4-(4-ethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 40567086
butyl (4S)-6-methyl-2-oxo-4-(4-propoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7073454
N-(4-chlorophenyl)-6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 2860777
4-[4-(2-amino-2-oxoethoxy)phenyl]-N-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 3157838
N-(4-methoxyphenyl)-6-methyl-4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 2866647
butyl (4S)-6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7093845

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(4-butoxyphenyl)-6-methyl-2-oxo-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The IUPAC name of (4S)-4-(4-butoxyphenyl)-6-methyl-2-oxo-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide (CID 7858309) is (4S)-4-(4-butoxyphenyl)-6-methyl-2-oxo-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for (4S)-4-(4-butoxyphenyl)-6-methyl-2-oxo-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The canonical SMILES for (4S)-4-(4-butoxyphenyl)-6-methyl-2-oxo-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide is CCCCOc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2)cc1.
What is the InChIKey of (4S)-4-(4-butoxyphenyl)-6-methyl-2-oxo-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The InChIKey is MPYNUJWOHXDAHP-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-3-4-14-28-18-12-10-16(11-13-18)20-19(15(2)23-22(27)25-20)21(26)24-17-8-6-5-7-9-17/h5-13,20H,3-4,14H2,1-2H3,(H,24,26)(H2,23,25,27)/t20-/m0/s1.
What are the key properties of (4S)-4-(4-butoxyphenyl)-6-methyl-2-oxo-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide?
(4S)-4-(4-butoxyphenyl)-6-methyl-2-oxo-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 4.13, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(4-butoxyphenyl)-6-methyl-2-oxo-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 7858309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).