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

C15H26N4O — CID 109332729

IUPACN-tert-butyl-2-[butyl(methyl)amino]-6-methylpyrimidine-4-carboxamide
SMILESCCCCN(C)c1nc(C)cc(C(=O)NC(C)(C)C)n1
InChIInChI=1S/C15H26N4O/c1-7-8-9-19(6)14-16-11(2)10-12(17-14)13(20)18-15(3,4)5/h10H,7-9H2,1-6H3,(H,18,20)
InChIKeyJEQYXWNQBFWKRB-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.55
Rot. Bonds5

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

N-tert-butyl-2-[butyl(methyl)amino]-6-methylpyrimidine-4-carboxamide (PubChem CID 109332729) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is N-tert-butyl-2-[butyl(methyl)amino]-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2-[butyl(methyl)amino]-6-methylpyrimidine-4-carboxamide
PubChem CID109332729
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC NameN-tert-butyl-2-[butyl(methyl)amino]-6-methylpyrimidine-4-carboxamide
SMILESCCCCN(C)c1nc(C)cc(C(=O)NC(C)(C)C)n1
InChIInChI=1S/C15H26N4O/c1-7-8-9-19(6)14-16-11(2)10-12(17-14)13(20)18-15(3,4)5/h10H,7-9H2,1-6H3,(H,18,20)
InChIKeyJEQYXWNQBFWKRB-UHFFFAOYSA-N
XLogP2.55
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.55
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
N-butan-2-yl-2-[butyl(methyl)amino]-6-methylpyrimidine-4-carboxamide
CID 109321443
2-[butyl(methyl)amino]-6-methyl-N-phenylpyrimidine-4-carboxamide
CID 109333535
2-[butyl(methyl)amino]-6-methyl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109333587
N-(3-bromophenyl)-2-[butyl(methyl)amino]-6-methylpyrimidine-4-carboxamide
CID 109333607
2-[butyl(methyl)amino]-6-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109327703
1-[4-[2-[butyl(methyl)amino]-6-methylpyrimidine-4-carbonyl]piperazin-1-yl]ethanone
CID 109326695
2-[butyl(methyl)amino]-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109333574
2-[butyl(methyl)amino]-N-[2-(4-chlorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109331713
2-[benzyl(ethyl)amino]-N-tert-butyl-6-methylpyrimidine-4-carboxamide
CID 109329482
ethyl 2-[[2-[butyl(methyl)amino]-6-methylpyrimidine-4-carbonyl]amino]benzoate
CID 109333628
[2-[butyl(methyl)amino]-6-methylpyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109326191

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[butyl(methyl)amino]-6-methylpyrimidine-4-carboxamide?
The IUPAC name of N-tert-butyl-2-[butyl(methyl)amino]-6-methylpyrimidine-4-carboxamide (CID 109332729) is N-tert-butyl-2-[butyl(methyl)amino]-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-tert-butyl-2-[butyl(methyl)amino]-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-tert-butyl-2-[butyl(methyl)amino]-6-methylpyrimidine-4-carboxamide is CCCCN(C)c1nc(C)cc(C(=O)NC(C)(C)C)n1.
What is the InChIKey of N-tert-butyl-2-[butyl(methyl)amino]-6-methylpyrimidine-4-carboxamide?
The InChIKey is JEQYXWNQBFWKRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-7-8-9-19(6)14-16-11(2)10-12(17-14)13(20)18-15(3,4)5/h10H,7-9H2,1-6H3,(H,18,20).
What are the key properties of N-tert-butyl-2-[butyl(methyl)amino]-6-methylpyrimidine-4-carboxamide?
N-tert-butyl-2-[butyl(methyl)amino]-6-methylpyrimidine-4-carboxamide has a molecular weight of 278.40 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[butyl(methyl)amino]-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109332729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).