N-butyl-2-(dipropylamino)-N-methylpyrimidine-5-carboxamide

C16H28N4O — CID 109263866

IUPACN-butyl-2-(dipropylamino)-N-methylpyrimidine-5-carboxamide
SMILESCCCCN(C)C(=O)c1cnc(N(CCC)CCC)nc1
InChIInChI=1S/C16H28N4O/c1-5-8-11-19(4)15(21)14-12-17-16(18-13-14)20(9-6-2)10-7-3/h12-13H,5-11H2,1-4H3
InChIKeyAYJFREMYERBZII-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.98
Rot. Bonds9

About N-butyl-2-(dipropylamino)-N-methylpyrimidine-5-carboxamide

N-butyl-2-(dipropylamino)-N-methylpyrimidine-5-carboxamide (PubChem CID 109263866) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is N-butyl-2-(dipropylamino)-N-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-butyl-2-(dipropylamino)-N-methylpyrimidine-5-carboxamide
PubChem CID109263866
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC NameN-butyl-2-(dipropylamino)-N-methylpyrimidine-5-carboxamide
SMILESCCCCN(C)C(=O)c1cnc(N(CCC)CCC)nc1
InChIInChI=1S/C16H28N4O/c1-5-8-11-19(4)15(21)14-12-17-16(18-13-14)20(9-6-2)10-7-3/h12-13H,5-11H2,1-4H3
InChIKeyAYJFREMYERBZII-UHFFFAOYSA-N
XLogP2.98
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(dipropylamino)-N-methyl-N-phenylpyrimidine-5-carboxamide
CID 109264652
5-[butyl(methyl)carbamoyl]pyridine-2-carboxylic acid
CID 43414824
N-butyl-2-(3-methoxypropylamino)-N-methylpyrimidine-5-carboxamide
CID 109251916
N-butyl-6-[3-(dimethylamino)propylamino]-N-methylpyridine-3-carboxamide
CID 109154268
N-butyl-5-ethyl-N-propylpyrimidin-2-amine
CID 71107630
N-butyl-N-methylpyridine-4-carboxamide;hydrochloride
CID 110756274
2-[butyl(methyl)amino]pyrimidine-5-carboxylic acid
CID 82283844
N-butyl-2-[(4-fluorophenyl)methylamino]-N-methylpyrimidine-5-carboxamide
CID 109257290
N-butyl-N-methyl-6-pyridin-2-ylpyridine-3-carboxamide
CID 110681859
2-(4-bromo-3-methylanilino)-N-butyl-N-methylpyrimidine-5-carboxamide
CID 109263948
4-[butyl(methyl)carbamoyl]benzoic acid
CID 43452774
N-butyl-N,5-dipropylpyrimidin-2-amine
CID 71106875

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(dipropylamino)-N-methylpyrimidine-5-carboxamide?
The IUPAC name of N-butyl-2-(dipropylamino)-N-methylpyrimidine-5-carboxamide (CID 109263866) is N-butyl-2-(dipropylamino)-N-methylpyrimidine-5-carboxamide.
What is the SMILES notation for N-butyl-2-(dipropylamino)-N-methylpyrimidine-5-carboxamide?
The canonical SMILES for N-butyl-2-(dipropylamino)-N-methylpyrimidine-5-carboxamide is CCCCN(C)C(=O)c1cnc(N(CCC)CCC)nc1.
What is the InChIKey of N-butyl-2-(dipropylamino)-N-methylpyrimidine-5-carboxamide?
The InChIKey is AYJFREMYERBZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-5-8-11-19(4)15(21)14-12-17-16(18-13-14)20(9-6-2)10-7-3/h12-13H,5-11H2,1-4H3.
What are the key properties of N-butyl-2-(dipropylamino)-N-methylpyrimidine-5-carboxamide?
N-butyl-2-(dipropylamino)-N-methylpyrimidine-5-carboxamide has a molecular weight of 292.43 g/mol, XLogP of 2.98, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(dipropylamino)-N-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 109263866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).