6-[butyl(methyl)amino]-N-propylpyrimidine-4-carboxamide

C13H22N4O — CID 109338516

IUPAC6-[butyl(methyl)amino]-N-propylpyrimidine-4-carboxamide
SMILESCCCCN(C)c1cc(C(=O)NCCC)ncn1
InChIInChI=1S/C13H22N4O/c1-4-6-8-17(3)12-9-11(15-10-16-12)13(18)14-7-5-2/h9-10H,4-8H2,1-3H3,(H,14,18)
InChIKeyPVJVIMWDCZHBTF-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.85
Rot. Bonds7

About 6-[butyl(methyl)amino]-N-propylpyrimidine-4-carboxamide

6-[butyl(methyl)amino]-N-propylpyrimidine-4-carboxamide (PubChem CID 109338516) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 6-[butyl(methyl)amino]-N-propylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[butyl(methyl)amino]-N-propylpyrimidine-4-carboxamide
PubChem CID109338516
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name6-[butyl(methyl)amino]-N-propylpyrimidine-4-carboxamide
SMILESCCCCN(C)c1cc(C(=O)NCCC)ncn1
InChIInChI=1S/C13H22N4O/c1-4-6-8-17(3)12-9-11(15-10-16-12)13(18)14-7-5-2/h9-10H,4-8H2,1-3H3,(H,14,18)
InChIKeyPVJVIMWDCZHBTF-UHFFFAOYSA-N
XLogP1.85
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[butyl(methyl)amino]-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109350562
6-[butyl(methyl)amino]-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109347424
6-[butyl(methyl)amino]-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109348168
6-[butyl(methyl)amino]-N-(2,4-dimethylphenyl)pyrimidine-4-carboxamide
CID 109354637
6-(diethylamino)-N-[3-(dimethylamino)propyl]pyrimidine-4-carboxamide
CID 109344902
6-methyl-N-propylpyrimidine-4-carboxamide
CID 110847771
6-(butylamino)-N-propylpyrimidine-4-carboxamide
CID 109338441
4-[butyl(methyl)amino]-N-pentylpyridine-2-carboxamide
CID 109217497
N-butyl-6-(dipropylamino)-N-methylpyrimidine-4-carboxamide
CID 109354737
6-[2-(dimethylamino)ethylamino]-N-pentylpyrimidine-4-carboxamide
CID 109344114
6-ethoxy-N-propylpyrimidine-4-carboxamide
CID 121167565
N-butyl-6-[(1,1-dioxothiolan-3-yl)-methylamino]pyrimidine-4-carboxamide
CID 109340046

Frequently Asked Questions

What is the IUPAC name of 6-[butyl(methyl)amino]-N-propylpyrimidine-4-carboxamide?
The IUPAC name of 6-[butyl(methyl)amino]-N-propylpyrimidine-4-carboxamide (CID 109338516) is 6-[butyl(methyl)amino]-N-propylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-[butyl(methyl)amino]-N-propylpyrimidine-4-carboxamide?
The canonical SMILES for 6-[butyl(methyl)amino]-N-propylpyrimidine-4-carboxamide is CCCCN(C)c1cc(C(=O)NCCC)ncn1.
What is the InChIKey of 6-[butyl(methyl)amino]-N-propylpyrimidine-4-carboxamide?
The InChIKey is PVJVIMWDCZHBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-4-6-8-17(3)12-9-11(15-10-16-12)13(18)14-7-5-2/h9-10H,4-8H2,1-3H3,(H,14,18).
What are the key properties of 6-[butyl(methyl)amino]-N-propylpyrimidine-4-carboxamide?
6-[butyl(methyl)amino]-N-propylpyrimidine-4-carboxamide has a molecular weight of 250.35 g/mol, XLogP of 1.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[butyl(methyl)amino]-N-propylpyrimidine-4-carboxamide is sourced from PubChem (CID 109338516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).