N-butyl-N,6-dimethyl-2-(2-methylpropylamino)pyrimidine-4-carboxamide

C15H26N4O — CID 109320873

IUPACN-butyl-N,6-dimethyl-2-(2-methylpropylamino)pyrimidine-4-carboxamide
SMILESCCCCN(C)C(=O)c1cc(C)nc(NCC(C)C)n1
InChIInChI=1S/C15H26N4O/c1-6-7-8-19(5)14(20)13-9-12(4)17-15(18-13)16-10-11(2)3/h9,11H,6-8,10H2,1-5H3,(H,16,17,18)
InChIKeyBRMZJGUBDHYWPS-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.73
Rot. Bonds7

About N-butyl-N,6-dimethyl-2-(2-methylpropylamino)pyrimidine-4-carboxamide

N-butyl-N,6-dimethyl-2-(2-methylpropylamino)pyrimidine-4-carboxamide (PubChem CID 109320873) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is N-butyl-N,6-dimethyl-2-(2-methylpropylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-N,6-dimethyl-2-(2-methylpropylamino)pyrimidine-4-carboxamide
PubChem CID109320873
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC NameN-butyl-N,6-dimethyl-2-(2-methylpropylamino)pyrimidine-4-carboxamide
SMILESCCCCN(C)C(=O)c1cc(C)nc(NCC(C)C)n1
InChIInChI=1S/C15H26N4O/c1-6-7-8-19(5)14(20)13-9-12(4)17-15(18-13)16-10-11(2)3/h9,11H,6-8,10H2,1-5H3,(H,16,17,18)
InChIKeyBRMZJGUBDHYWPS-UHFFFAOYSA-N
XLogP2.73
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-6-methyl-2-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109320864
N-butyl-N,6-dimethyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109330364
N-butyl-2-[2-(4-fluorophenyl)ethylamino]-N,6-dimethylpyrimidine-4-carboxamide
CID 109330806
6-methyl-N-(2-methylpropyl)-2-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109320796
N-butyl-2-[2-(4-methoxyphenoxy)ethylamino]-N,6-dimethylpyrimidine-4-carboxamide
CID 109332567
N-butyl-2-(3,4-dimethylanilino)-N,6-dimethylpyrimidine-4-carboxamide
CID 109333654
N-butyl-2-(4-ethylanilino)-N,6-dimethylpyrimidine-4-carboxamide
CID 109333659
N-butyl-N,6-dimethyl-2-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109333690
N-butyl-2-(2,4-dichloroanilino)-N,6-dimethylpyrimidine-4-carboxamide
CID 109333730
2-(3-bromo-4-methylanilino)-N-butyl-N,6-dimethylpyrimidine-4-carboxamide
CID 109333683
N-butyl-N-methyl-5-(2-methylpropylamino)pyrazine-2-carboxamide
CID 109272998
ethyl 2-[[4-[butyl(methyl)carbamoyl]-6-methylpyrimidin-2-yl]amino]benzoate
CID 109333738

Frequently Asked Questions

What is the IUPAC name of N-butyl-N,6-dimethyl-2-(2-methylpropylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-butyl-N,6-dimethyl-2-(2-methylpropylamino)pyrimidine-4-carboxamide (CID 109320873) is N-butyl-N,6-dimethyl-2-(2-methylpropylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-butyl-N,6-dimethyl-2-(2-methylpropylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-butyl-N,6-dimethyl-2-(2-methylpropylamino)pyrimidine-4-carboxamide is CCCCN(C)C(=O)c1cc(C)nc(NCC(C)C)n1.
What is the InChIKey of N-butyl-N,6-dimethyl-2-(2-methylpropylamino)pyrimidine-4-carboxamide?
The InChIKey is BRMZJGUBDHYWPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-6-7-8-19(5)14(20)13-9-12(4)17-15(18-13)16-10-11(2)3/h9,11H,6-8,10H2,1-5H3,(H,16,17,18).
What are the key properties of N-butyl-N,6-dimethyl-2-(2-methylpropylamino)pyrimidine-4-carboxamide?
N-butyl-N,6-dimethyl-2-(2-methylpropylamino)pyrimidine-4-carboxamide has a molecular weight of 278.40 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N,6-dimethyl-2-(2-methylpropylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109320873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).