6-methyl-N-propyl-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide

C15H19N5O — CID 109319095

IUPAC6-methyl-N-propyl-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
SMILESCCCNC(=O)c1cc(C)nc(NCc2ccncc2)n1
InChIInChI=1S/C15H19N5O/c1-3-6-17-14(21)13-9-11(2)19-15(20-13)18-10-12-4-7-16-8-5-12/h4-5,7-9H,3,6,10H2,1-2H3,(H,17,21)(H,18,19,20)
InChIKeyJFEGZTOXDLSCRA-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.93
Rot. Bonds6

About 6-methyl-N-propyl-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide

6-methyl-N-propyl-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide (PubChem CID 109319095) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 6-methyl-N-propyl-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-methyl-N-propyl-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
PubChem CID109319095
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name6-methyl-N-propyl-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
SMILESCCCNC(=O)c1cc(C)nc(NCc2ccncc2)n1
InChIInChI=1S/C15H19N5O/c1-3-6-17-14(21)13-9-11(2)19-15(20-13)18-10-12-4-7-16-8-5-12/h4-5,7-9H,3,6,10H2,1-2H3,(H,17,21)(H,18,19,20)
InChIKeyJFEGZTOXDLSCRA-UHFFFAOYSA-N
XLogP1.93
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-chlorophenyl)methyl]-6-methyl-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109329026
6-methyl-N-(4-methylphenyl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109330140
6-methyl-N-pentyl-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109329888
N-[2-(4-fluorophenyl)ethyl]-2-[(4-fluorophenyl)methylamino]-6-methylpyrimidine-4-carboxamide
CID 109328635
6-methyl-N-(oxolan-2-ylmethyl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109324709
2-(4-ethylanilino)-6-methyl-N-propylpyrimidine-4-carboxamide
CID 109319158
N,6-dimethyl-N-phenyl-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109330141
N-[2-(4-chlorophenyl)ethyl]-6-methyl-2-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109327800
2-[(4-chlorophenyl)methylamino]-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109328971
1-[4-[6-methyl-2-(pyridin-4-ylmethylamino)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone
CID 109326676
6-methyl-2-[(4-methylphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109327787
2-(butan-2-ylamino)-6-methyl-N-propylpyrimidine-4-carboxamide
CID 109319063

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-propyl-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide?
The IUPAC name of 6-methyl-N-propyl-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide (CID 109319095) is 6-methyl-N-propyl-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-methyl-N-propyl-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide?
The canonical SMILES for 6-methyl-N-propyl-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide is CCCNC(=O)c1cc(C)nc(NCc2ccncc2)n1.
What is the InChIKey of 6-methyl-N-propyl-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide?
The InChIKey is JFEGZTOXDLSCRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-3-6-17-14(21)13-9-11(2)19-15(20-13)18-10-12-4-7-16-8-5-12/h4-5,7-9H,3,6,10H2,1-2H3,(H,17,21)(H,18,19,20).
What are the key properties of 6-methyl-N-propyl-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide?
6-methyl-N-propyl-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-propyl-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109319095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).