N-butyl-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide

C15H25N5O — CID 109320621

IUPACN-butyl-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide
SMILESCCCCNC(=O)c1cc(C)nc(N2CCN(C)CC2)n1
InChIInChI=1S/C15H25N5O/c1-4-5-6-16-14(21)13-11-12(2)17-15(18-13)20-9-7-19(3)8-10-20/h11H,4-10H2,1-3H3,(H,16,21)
InChIKeyNPMOLFNAMBGIDL-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.07
Rot. Bonds5

About N-butyl-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide

N-butyl-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide (PubChem CID 109320621) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is N-butyl-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide
PubChem CID109320621
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC NameN-butyl-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide
SMILESCCCCNC(=O)c1cc(C)nc(N2CCN(C)CC2)n1
InChIInChI=1S/C15H25N5O/c1-4-5-6-16-14(21)13-11-12(2)17-15(18-13)20-9-7-19(3)8-10-20/h11H,4-10H2,1-3H3,(H,16,21)
InChIKeyNPMOLFNAMBGIDL-UHFFFAOYSA-N
XLogP1.07
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(4-fluorophenyl)piperazin-1-yl]-6-methyl-N-propylpyrimidine-4-carboxamide
CID 109319108
N-[3-(dimethylamino)propyl]-2-(4-formylpiperazin-1-yl)-6-methylpyrimidine-4-carboxamide
CID 109325558
2-[4-(4-methoxyphenyl)piperazin-1-yl]-6-methyl-N-propylpyrimidine-4-carboxamide
CID 109319143
N-(4-ethylphenyl)-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109325780
N-butyl-2-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidine-4-carboxamide
CID 109320696
6-methyl-2-(4-methylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109324688
2-(azepan-1-yl)-N-(3-imidazol-1-ylpropyl)-6-methylpyrimidine-4-carboxamide
CID 71689441
N-(3-methoxypropyl)-6-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide
CID 109324073
2-(4-ethylpiperazin-1-yl)-6-methyl-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109326029
N-butyl-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109272354
6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109325856
2-(azepan-1-yl)-6-methyl-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide
CID 71689433

Frequently Asked Questions

What is the IUPAC name of N-butyl-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide?
The IUPAC name of N-butyl-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide (CID 109320621) is N-butyl-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-butyl-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide?
The canonical SMILES for N-butyl-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide is CCCCNC(=O)c1cc(C)nc(N2CCN(C)CC2)n1.
What is the InChIKey of N-butyl-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide?
The InChIKey is NPMOLFNAMBGIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O/c1-4-5-6-16-14(21)13-11-12(2)17-15(18-13)20-9-7-19(3)8-10-20/h11H,4-10H2,1-3H3,(H,16,21).
What are the key properties of N-butyl-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide?
N-butyl-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide has a molecular weight of 291.40 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109320621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).