6-[benzyl(ethyl)amino]-N-butyl-2-methylpyrimidine-4-carboxamide

C19H26N4O — CID 109361770

IUPAC6-[benzyl(ethyl)amino]-N-butyl-2-methylpyrimidine-4-carboxamide
SMILESCCCCNC(=O)c1cc(N(CC)Cc2ccccc2)nc(C)n1
InChIInChI=1S/C19H26N4O/c1-4-6-12-20-19(24)17-13-18(22-15(3)21-17)23(5-2)14-16-10-8-7-9-11-16/h7-11,13H,4-6,12,14H2,1-3H3,(H,20,24)
InChIKeyBLEPJOFRSAQADU-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.34
Rot. Bonds8

About 6-[benzyl(ethyl)amino]-N-butyl-2-methylpyrimidine-4-carboxamide

6-[benzyl(ethyl)amino]-N-butyl-2-methylpyrimidine-4-carboxamide (PubChem CID 109361770) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 6-[benzyl(ethyl)amino]-N-butyl-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[benzyl(ethyl)amino]-N-butyl-2-methylpyrimidine-4-carboxamide
PubChem CID109361770
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name6-[benzyl(ethyl)amino]-N-butyl-2-methylpyrimidine-4-carboxamide
SMILESCCCCNC(=O)c1cc(N(CC)Cc2ccccc2)nc(C)n1
InChIInChI=1S/C19H26N4O/c1-4-6-12-20-19(24)17-13-18(22-15(3)21-17)23(5-2)14-16-10-8-7-9-11-16/h7-11,13H,4-6,12,14H2,1-3H3,(H,20,24)
InChIKeyBLEPJOFRSAQADU-UHFFFAOYSA-N
XLogP3.34
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[benzyl(ethyl)amino]-2-methyl-N-propylpyrimidine-4-carboxamide
CID 109360211
6-[benzyl(ethyl)amino]-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109370607
6-[benzyl(ethyl)amino]-N-(3,4-dimethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 109370613
6-(dipropylamino)-2-methyl-N-pentylpyrimidine-4-carboxamide
CID 112846812
6-[benzyl(ethyl)amino]-N-pentylpyridazine-3-carboxamide
CID 109120520
6-[benzyl(propan-2-yl)amino]-N-[3-(dimethylamino)propyl]-2-methylpyrimidine-4-carboxamide
CID 109366753
6-[benzyl(ethyl)amino]-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide
CID 112853212
2-[benzyl(ethyl)amino]-N-[3-(dimethylamino)propyl]-6-methylpyrimidine-4-carboxamide
CID 109325574
N-[2-(3-chlorophenyl)ethyl]-6-(diethylamino)-2-methylpyrimidine-4-carboxamide
CID 109373286
N-[3-(dimethylamino)propyl]-6-(N-ethylanilino)-2-methylpyrimidine-4-carboxamide
CID 109366778
6-(diethylamino)-N-[2-(3-methoxyphenyl)ethyl]-2-methylpyrimidine-4-carboxamide
CID 109372125
6-(diethylamino)-2-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109369048

Frequently Asked Questions

What is the IUPAC name of 6-[benzyl(ethyl)amino]-N-butyl-2-methylpyrimidine-4-carboxamide?
The IUPAC name of 6-[benzyl(ethyl)amino]-N-butyl-2-methylpyrimidine-4-carboxamide (CID 109361770) is 6-[benzyl(ethyl)amino]-N-butyl-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-[benzyl(ethyl)amino]-N-butyl-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for 6-[benzyl(ethyl)amino]-N-butyl-2-methylpyrimidine-4-carboxamide is CCCCNC(=O)c1cc(N(CC)Cc2ccccc2)nc(C)n1.
What is the InChIKey of 6-[benzyl(ethyl)amino]-N-butyl-2-methylpyrimidine-4-carboxamide?
The InChIKey is BLEPJOFRSAQADU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-4-6-12-20-19(24)17-13-18(22-15(3)21-17)23(5-2)14-16-10-8-7-9-11-16/h7-11,13H,4-6,12,14H2,1-3H3,(H,20,24).
What are the key properties of 6-[benzyl(ethyl)amino]-N-butyl-2-methylpyrimidine-4-carboxamide?
6-[benzyl(ethyl)amino]-N-butyl-2-methylpyrimidine-4-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 3.34, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[benzyl(ethyl)amino]-N-butyl-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109361770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).