N-butyl-N,2-dimethyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide

C20H28N6O — CID 109373195

IUPACN-butyl-N,2-dimethyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide
SMILESCCCCN(C)C(=O)c1cc(N2CCN(c3ccccn3)CC2)nc(C)n1
InChIInChI=1S/C20H28N6O/c1-4-5-10-24(3)20(27)17-15-19(23-16(2)22-17)26-13-11-25(12-14-26)18-8-6-7-9-21-18/h6-9,15H,4-5,10-14H2,1-3H3
InChIKeyIIEFRBNWZYGTEW-UHFFFAOYSA-N
MW368.49 g/mol
LogP2.38
Rot. Bonds6

About N-butyl-N,2-dimethyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide

N-butyl-N,2-dimethyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide (PubChem CID 109373195) has the molecular formula C20H28N6O and a molecular weight of 368.49 g/mol. Its IUPAC name is N-butyl-N,2-dimethyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-N,2-dimethyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide
PubChem CID109373195
Molecular FormulaC20H28N6O
Molecular Weight368.49 g/mol
Exact Mass368.23
IUPAC NameN-butyl-N,2-dimethyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide
SMILESCCCCN(C)C(=O)c1cc(N2CCN(c3ccccn3)CC2)nc(C)n1
InChIInChI=1S/C20H28N6O/c1-4-5-10-24(3)20(27)17-15-19(23-16(2)22-17)26-13-11-25(12-14-26)18-8-6-7-9-21-18/h6-9,15H,4-5,10-14H2,1-3H3
InChIKeyIIEFRBNWZYGTEW-UHFFFAOYSA-N
XLogP2.38
TPSA65.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.49
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-(azepan-1-yl)-N-butyl-N,2-dimethylpyrimidine-4-carboxamide
CID 112847027
N-(2-methoxyethyl)-2-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109364861
[2-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109363662
[2-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109365554
6-(4-acetylpiperazin-1-yl)-N-benzyl-N,2-dimethylpyrimidine-4-carboxamide
CID 109367712
[2-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109364142
6-(benzylamino)-N-butyl-N,2-dimethylpyrimidine-4-carboxamide
CID 109368269
N-butyl-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109361785
N-butyl-4-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 109216141
2-methyl-N-propyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109360246
2-methyl-6-piperidin-1-yl-N,N-dipropylpyrimidine-4-carboxamide
CID 109363505
N-[3-(dimethylamino)propyl]-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109344900

Frequently Asked Questions

What is the IUPAC name of N-butyl-N,2-dimethyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide?
The IUPAC name of N-butyl-N,2-dimethyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide (CID 109373195) is N-butyl-N,2-dimethyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-butyl-N,2-dimethyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide?
The canonical SMILES for N-butyl-N,2-dimethyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide is CCCCN(C)C(=O)c1cc(N2CCN(c3ccccn3)CC2)nc(C)n1.
What is the InChIKey of N-butyl-N,2-dimethyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide?
The InChIKey is IIEFRBNWZYGTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O/c1-4-5-10-24(3)20(27)17-15-19(23-16(2)22-17)26-13-11-25(12-14-26)18-8-6-7-9-21-18/h6-9,15H,4-5,10-14H2,1-3H3.
What are the key properties of N-butyl-N,2-dimethyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide?
N-butyl-N,2-dimethyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide has a molecular weight of 368.49 g/mol, XLogP of 2.38, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N,2-dimethyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109373195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).