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

C19H26N4O — CID 109329482

IUPAC2-[benzyl(ethyl)amino]-N-tert-butyl-6-methylpyrimidine-4-carboxamide
SMILESCCN(Cc1ccccc1)c1nc(C)cc(C(=O)NC(C)(C)C)n1
InChIInChI=1S/C19H26N4O/c1-6-23(13-15-10-8-7-9-11-15)18-20-14(2)12-16(21-18)17(24)22-19(3,4)5/h7-12H,6,13H2,1-5H3,(H,22,24)
InChIKeyZIWWSBPEKBZUNA-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.34
Rot. Bonds5

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

2-[benzyl(ethyl)amino]-N-tert-butyl-6-methylpyrimidine-4-carboxamide (PubChem CID 109329482) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-[benzyl(ethyl)amino]-N-tert-butyl-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[benzyl(ethyl)amino]-N-tert-butyl-6-methylpyrimidine-4-carboxamide
PubChem CID109329482
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name2-[benzyl(ethyl)amino]-N-tert-butyl-6-methylpyrimidine-4-carboxamide
SMILESCCN(Cc1ccccc1)c1nc(C)cc(C(=O)NC(C)(C)C)n1
InChIInChI=1S/C19H26N4O/c1-6-23(13-15-10-8-7-9-11-15)18-20-14(2)12-16(21-18)17(24)22-19(3,4)5/h7-12H,6,13H2,1-5H3,(H,22,24)
InChIKeyZIWWSBPEKBZUNA-UHFFFAOYSA-N
XLogP3.34
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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

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Related Compounds

N-tert-butyl-2-(diethylamino)-6-methylpyrimidine-4-carboxamide
CID 109332208
2-[benzyl(ethyl)amino]-N-(2-chlorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109329512
2-[benzyl(ethyl)amino]-6-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109329471
2-[benzyl(ethyl)amino]-N-(4-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109329511
2-[benzyl(ethyl)amino]-N-[3-(dimethylamino)propyl]-6-methylpyrimidine-4-carboxamide
CID 109325574
2-[benzyl(ethyl)amino]-N-(2,4-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109329498
2-[benzyl(ethyl)amino]-N-[(4-chlorophenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109329023
2-[benzyl(ethyl)amino]-N-(4-ethoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109329524
2-(diethylamino)-6-methyl-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 109332221
2-[benzyl(ethyl)amino]-N-[2-(cyclohexen-1-yl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109323397
2-[benzyl(ethyl)amino]-6-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109324706
N-tert-butyl-2-[butyl(methyl)amino]-6-methylpyrimidine-4-carboxamide
CID 109332729

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(ethyl)amino]-N-tert-butyl-6-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-[benzyl(ethyl)amino]-N-tert-butyl-6-methylpyrimidine-4-carboxamide (CID 109329482) is 2-[benzyl(ethyl)amino]-N-tert-butyl-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-[benzyl(ethyl)amino]-N-tert-butyl-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-[benzyl(ethyl)amino]-N-tert-butyl-6-methylpyrimidine-4-carboxamide is CCN(Cc1ccccc1)c1nc(C)cc(C(=O)NC(C)(C)C)n1.
What is the InChIKey of 2-[benzyl(ethyl)amino]-N-tert-butyl-6-methylpyrimidine-4-carboxamide?
The InChIKey is ZIWWSBPEKBZUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-6-23(13-15-10-8-7-9-11-15)18-20-14(2)12-16(21-18)17(24)22-19(3,4)5/h7-12H,6,13H2,1-5H3,(H,22,24).
What are the key properties of 2-[benzyl(ethyl)amino]-N-tert-butyl-6-methylpyrimidine-4-carboxamide?
2-[benzyl(ethyl)amino]-N-tert-butyl-6-methylpyrimidine-4-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(ethyl)amino]-N-tert-butyl-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109329482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).