N-butyl-N-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide

C21H29N5O — CID 109310342

IUPACN-butyl-N-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide
SMILESCCCCN(C)C(=O)c1ccnc(N2CCN(c3cccc(C)c3)CC2)n1
InChIInChI=1S/C21H29N5O/c1-4-5-11-24(3)20(27)19-9-10-22-21(23-19)26-14-12-25(13-15-26)18-8-6-7-17(2)16-18/h6-10,16H,4-5,11-15H2,1-3H3
InChIKeyQOEUIFOREDVXPK-UHFFFAOYSA-N
MW367.50 g/mol
LogP2.98
Rot. Bonds6

About N-butyl-N-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide

N-butyl-N-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide (PubChem CID 109310342) has the molecular formula C21H29N5O and a molecular weight of 367.50 g/mol. Its IUPAC name is N-butyl-N-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-N-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide
PubChem CID109310342
Molecular FormulaC21H29N5O
Molecular Weight367.50 g/mol
Exact Mass367.24
IUPAC NameN-butyl-N-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide
SMILESCCCCN(C)C(=O)c1ccnc(N2CCN(c3cccc(C)c3)CC2)n1
InChIInChI=1S/C21H29N5O/c1-4-5-11-24(3)20(27)19-9-10-22-21(23-19)26-14-12-25(13-15-26)18-8-6-7-17(2)16-18/h6-10,16H,4-5,11-15H2,1-3H3
InChIKeyQOEUIFOREDVXPK-UHFFFAOYSA-N
XLogP2.98
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-butyl-N-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]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-butyl-N-methyl-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyridine-2-carboxamide
CID 109088698
N-butan-2-yl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide
CID 109297331
N-(3-methoxypropyl)-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide
CID 109300202
N-butyl-2-(N-ethyl-3-methylanilino)-N-methylpyrimidine-4-carboxamide
CID 109312422
N-(4-methylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide
CID 109310350
2-[4-(3-methylphenyl)piperazin-1-yl]-N-phenylpyrimidine-4-carboxamide
CID 109310347
N-butyl-2-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidine-4-carboxamide
CID 109296562
N-butyl-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-methylpyrimidine-4-carboxamide
CID 109311171
N-butyl-4-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 109216141
N-butyl-N-methyl-1-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide
CID 108978748
N-butyl-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-methylpyrimidin-4-amine
CID 112898403
N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide
CID 109310359

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide?
The IUPAC name of N-butyl-N-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide (CID 109310342) is N-butyl-N-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide.
What is the SMILES notation for N-butyl-N-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide?
The canonical SMILES for N-butyl-N-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide is CCCCN(C)C(=O)c1ccnc(N2CCN(c3cccc(C)c3)CC2)n1.
What is the InChIKey of N-butyl-N-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide?
The InChIKey is QOEUIFOREDVXPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O/c1-4-5-11-24(3)20(27)19-9-10-22-21(23-19)26-14-12-25(13-15-26)18-8-6-7-17(2)16-18/h6-10,16H,4-5,11-15H2,1-3H3.
What are the key properties of N-butyl-N-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide?
N-butyl-N-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide has a molecular weight of 367.50 g/mol, XLogP of 2.98, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide is sourced from PubChem (CID 109310342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).