N-[2-(dimethylamino)ethyl]-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide

C20H28N6O — CID 109344276

IUPACN-[2-(dimethylamino)ethyl]-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide
SMILESCc1cccc(N2CCN(c3cc(C(=O)NCCN(C)C)ncn3)CC2)c1
InChIInChI=1S/C20H28N6O/c1-16-5-4-6-17(13-16)25-9-11-26(12-10-25)19-14-18(22-15-23-19)20(27)21-7-8-24(2)3/h4-6,13-15H,7-12H2,1-3H3,(H,21,27)
InChIKeyZZVJLSVFQSWYTH-UHFFFAOYSA-N
MW368.49 g/mol
LogP1.40
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide

N-[2-(dimethylamino)ethyl]-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide (PubChem CID 109344276) has the molecular formula C20H28N6O and a molecular weight of 368.49 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide
PubChem CID109344276
Molecular FormulaC20H28N6O
Molecular Weight368.49 g/mol
Exact Mass368.23
IUPAC NameN-[2-(dimethylamino)ethyl]-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide
SMILESCc1cccc(N2CCN(c3cc(C(=O)NCCN(C)C)ncn3)CC2)c1
InChIInChI=1S/C20H28N6O/c1-16-5-4-6-17(13-16)25-9-11-26(12-10-25)19-14-18(22-15-23-19)20(27)21-7-8-24(2)3/h4-6,13-15H,7-12H2,1-3H3,(H,21,27)
InChIKeyZZVJLSVFQSWYTH-UHFFFAOYSA-N
XLogP1.40
TPSA64.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.49
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(dimethylamino)ethyl]-6-[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-[3-(dimethylamino)propyl]-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109344900
azepan-1-yl-[6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]methanone
CID 109352915
N-[2-(dimethylamino)ethyl]-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109203811
N-[3-(dimethylamino)propyl]-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109342145
N-(2-methoxyethyl)-2-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide
CID 109364854
6-[4-(3-chlorophenyl)piperazin-1-yl]-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide
CID 109153889
N-[(3-methylphenyl)methyl]-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109347173
4-[6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carbonyl]piperazine-1-carbaldehyde
CID 109345744
N-[2-(dimethylamino)ethyl]-6-(4-pyrrolidin-1-ylanilino)pyrimidine-4-carboxamide
CID 109344367
2-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]-N-prop-2-enylpyrimidine-4-carboxamide
CID 109361413
6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(2-methoxyethyl)pyrimidine-4-carboxamide
CID 109342971
6-[4-(3-chlorophenyl)piperazin-1-yl]-N-propan-2-ylpyrimidine-4-carboxamide
CID 109338891

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide (CID 109344276) is N-[2-(dimethylamino)ethyl]-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide is Cc1cccc(N2CCN(c3cc(C(=O)NCCN(C)C)ncn3)CC2)c1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide?
The InChIKey is ZZVJLSVFQSWYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O/c1-16-5-4-6-17(13-16)25-9-11-26(12-10-25)19-14-18(22-15-23-19)20(27)21-7-8-24(2)3/h4-6,13-15H,7-12H2,1-3H3,(H,21,27).
What are the key properties of N-[2-(dimethylamino)ethyl]-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide?
N-[2-(dimethylamino)ethyl]-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide has a molecular weight of 368.49 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide is sourced from PubChem (CID 109344276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).