N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-2-(methylsulfanylmethyl)-6-oxo-1H-pyrimidine-4-carboxamide

C19H23N5O3S — CID 136834709

IUPACN-[4-(4-methylpiperazine-1-carbonyl)phenyl]-2-(methylsulfanylmethyl)-6-oxo-1H-pyrimidine-4-carboxamide
SMILESCSCc1nc(C(=O)Nc2ccc(C(=O)N3CCN(C)CC3)cc2)cc(=O)[nH]1
InChIInChI=1S/C19H23N5O3S/c1-23-7-9-24(10-8-23)19(27)13-3-5-14(6-4-13)20-18(26)15-11-17(25)22-16(21-15)12-28-2/h3-6,11H,7-10,12H2,1-2H3,(H,20,26)(H,21,22,25)
InChIKeyVELOEPFCSLIARJ-UHFFFAOYSA-N
MW401.49 g/mol
LogP1.27
Rot. Bonds5

About N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-2-(methylsulfanylmethyl)-6-oxo-1H-pyrimidine-4-carboxamide

N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-2-(methylsulfanylmethyl)-6-oxo-1H-pyrimidine-4-carboxamide (PubChem CID 136834709) has the molecular formula C19H23N5O3S and a molecular weight of 401.49 g/mol. Its IUPAC name is N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-2-(methylsulfanylmethyl)-6-oxo-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(4-methylpiperazine-1-carbonyl)phenyl]-2-(methylsulfanylmethyl)-6-oxo-1H-pyrimidine-4-carboxamide
PubChem CID136834709
Molecular FormulaC19H23N5O3S
Molecular Weight401.49 g/mol
Exact Mass401.15
IUPAC NameN-[4-(4-methylpiperazine-1-carbonyl)phenyl]-2-(methylsulfanylmethyl)-6-oxo-1H-pyrimidine-4-carboxamide
SMILESCSCc1nc(C(=O)Nc2ccc(C(=O)N3CCN(C)CC3)cc2)cc(=O)[nH]1
InChIInChI=1S/C19H23N5O3S/c1-23-7-9-24(10-8-23)19(27)13-3-5-14(6-4-13)20-18(26)15-11-17(25)22-16(21-15)12-28-2/h3-6,11H,7-10,12H2,1-2H3,(H,20,26)(H,21,22,25)
InChIKeyVELOEPFCSLIARJ-UHFFFAOYSA-N
XLogP1.27
TPSA98.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-2-(methylsulfanylmethyl)-6-oxo-1H-pyrimidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-acetylphenyl)-2-(methylsulfanylmethyl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 136834764
2-(methylsulfanylmethyl)-6-oxo-N-pyridin-2-yl-1H-pyrimidine-4-carboxamide
CID 136705864
2-(methylsulfanylmethyl)-6-oxo-N-(2,3,4-trifluorophenyl)-1H-pyrimidine-4-carboxamide
CID 136834600
N-(4-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)benzamide
CID 109046134
N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 110619649
N-(4-acetamidophenyl)-6-[4-(4-methylpiperazine-1-carbonyl)phenyl]pyridine-2-carboxamide
CID 117079357
N-(2-chloro-4,6-dimethylphenyl)-2-(methylsulfanylmethyl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 136705890
1-methyl-3-[4-(4-methylpiperazine-1-carbonyl)phenyl]urea
CID 118087553
N-[4-(4-methylpiperazine-1-carbonyl)phenyl]pyridine-3-carboxamide
CID 94646302
3,4-dimethoxy-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
CID 94646312
N-(4-chlorophenyl)-2-(4-methylpiperazine-1-carbonyl)pyridine-4-carboxamide
CID 109084356
N-(4-fluorophenyl)-2-(4-methylpiperazine-1-carbonyl)pyridine-4-carboxamide
CID 109084353

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-2-(methylsulfanylmethyl)-6-oxo-1H-pyrimidine-4-carboxamide?
The IUPAC name of N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-2-(methylsulfanylmethyl)-6-oxo-1H-pyrimidine-4-carboxamide (CID 136834709) is N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-2-(methylsulfanylmethyl)-6-oxo-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-2-(methylsulfanylmethyl)-6-oxo-1H-pyrimidine-4-carboxamide?
The canonical SMILES for N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-2-(methylsulfanylmethyl)-6-oxo-1H-pyrimidine-4-carboxamide is CSCc1nc(C(=O)Nc2ccc(C(=O)N3CCN(C)CC3)cc2)cc(=O)[nH]1.
What is the InChIKey of N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-2-(methylsulfanylmethyl)-6-oxo-1H-pyrimidine-4-carboxamide?
The InChIKey is VELOEPFCSLIARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3S/c1-23-7-9-24(10-8-23)19(27)13-3-5-14(6-4-13)20-18(26)15-11-17(25)22-16(21-15)12-28-2/h3-6,11H,7-10,12H2,1-2H3,(H,20,26)(H,21,22,25).
What are the key properties of N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-2-(methylsulfanylmethyl)-6-oxo-1H-pyrimidine-4-carboxamide?
N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-2-(methylsulfanylmethyl)-6-oxo-1H-pyrimidine-4-carboxamide has a molecular weight of 401.49 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-2-(methylsulfanylmethyl)-6-oxo-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 136834709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).