6-(benzylamino)-N-butyl-N,2-dimethylpyrimidine-4-carboxamide

C18H24N4O — CID 109368269

IUPAC6-(benzylamino)-N-butyl-N,2-dimethylpyrimidine-4-carboxamide
SMILESCCCCN(C)C(=O)c1cc(NCc2ccccc2)nc(C)n1
InChIInChI=1S/C18H24N4O/c1-4-5-11-22(3)18(23)16-12-17(21-14(2)20-16)19-13-15-9-7-6-8-10-15/h6-10,12H,4-5,11,13H2,1-3H3,(H,19,20,21)
InChIKeyNAOMRHZAJARPKA-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.27
Rot. Bonds7

About 6-(benzylamino)-N-butyl-N,2-dimethylpyrimidine-4-carboxamide

6-(benzylamino)-N-butyl-N,2-dimethylpyrimidine-4-carboxamide (PubChem CID 109368269) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 6-(benzylamino)-N-butyl-N,2-dimethylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(benzylamino)-N-butyl-N,2-dimethylpyrimidine-4-carboxamide
PubChem CID109368269
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name6-(benzylamino)-N-butyl-N,2-dimethylpyrimidine-4-carboxamide
SMILESCCCCN(C)C(=O)c1cc(NCc2ccccc2)nc(C)n1
InChIInChI=1S/C18H24N4O/c1-4-5-11-22(3)18(23)16-12-17(21-14(2)20-16)19-13-15-9-7-6-8-10-15/h6-10,12H,4-5,11,13H2,1-3H3,(H,19,20,21)
InChIKeyNAOMRHZAJARPKA-UHFFFAOYSA-N
XLogP3.27
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-N,2-dimethyl-6-(pentylamino)pyrimidine-4-carboxamide
CID 112846701
N-butyl-6-[2-(4-fluorophenyl)ethylamino]-N,2-dimethylpyrimidine-4-carboxamide
CID 109371892
N-butyl-6-(4-tert-butylanilino)-N,2-dimethylpyrimidine-4-carboxamide
CID 112847051
N-butyl-N,2-dimethyl-6-(3-methylanilino)pyrimidine-4-carboxamide
CID 112847031
methyl 2-[[6-[butyl(methyl)carbamoyl]-2-methylpyrimidin-4-yl]amino]benzoate
CID 112847085
N-butyl-6-(4-fluoroanilino)-N,2-dimethylpyrimidine-4-carboxamide
CID 112847053
N-ethyl-2-methyl-6-[(4-methylphenyl)methylamino]-N-phenylpyrimidine-4-carboxamide
CID 109368973
N-butyl-6-[4-(diethylamino)anilino]-N,2-dimethylpyrimidine-4-carboxamide
CID 112847090
6-[(4-methoxyphenyl)methylamino]-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide
CID 109370374
N-butyl-N,6-dimethyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109330364
6-N-benzyl-2-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine
CID 112871547
6-[(4-methoxyphenyl)methylamino]-2-methyl-N,N-dipropylpyrimidine-4-carboxamide
CID 109370368

Frequently Asked Questions

What is the IUPAC name of 6-(benzylamino)-N-butyl-N,2-dimethylpyrimidine-4-carboxamide?
The IUPAC name of 6-(benzylamino)-N-butyl-N,2-dimethylpyrimidine-4-carboxamide (CID 109368269) is 6-(benzylamino)-N-butyl-N,2-dimethylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(benzylamino)-N-butyl-N,2-dimethylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(benzylamino)-N-butyl-N,2-dimethylpyrimidine-4-carboxamide is CCCCN(C)C(=O)c1cc(NCc2ccccc2)nc(C)n1.
What is the InChIKey of 6-(benzylamino)-N-butyl-N,2-dimethylpyrimidine-4-carboxamide?
The InChIKey is NAOMRHZAJARPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-4-5-11-22(3)18(23)16-12-17(21-14(2)20-16)19-13-15-9-7-6-8-10-15/h6-10,12H,4-5,11,13H2,1-3H3,(H,19,20,21).
What are the key properties of 6-(benzylamino)-N-butyl-N,2-dimethylpyrimidine-4-carboxamide?
6-(benzylamino)-N-butyl-N,2-dimethylpyrimidine-4-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzylamino)-N-butyl-N,2-dimethylpyrimidine-4-carboxamide is sourced from PubChem (CID 109368269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).