N-cyclobutyl-N,6-dimethyl-2-(methylamino)pyrimidine-4-carboxamide

C12H18N4O — CID 114220460

IUPACN-cyclobutyl-N,6-dimethyl-2-(methylamino)pyrimidine-4-carboxamide
SMILESCNc1nc(C)cc(C(=O)N(C)C2CCC2)n1
InChIInChI=1S/C12H18N4O/c1-8-7-10(15-12(13-2)14-8)11(17)16(3)9-5-4-6-9/h7,9H,4-6H2,1-3H3,(H,13,14,15)
InChIKeyWCTBPVGHMUNUFD-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.45
Rot. Bonds3

About N-cyclobutyl-N,6-dimethyl-2-(methylamino)pyrimidine-4-carboxamide

N-cyclobutyl-N,6-dimethyl-2-(methylamino)pyrimidine-4-carboxamide (PubChem CID 114220460) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is N-cyclobutyl-N,6-dimethyl-2-(methylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclobutyl-N,6-dimethyl-2-(methylamino)pyrimidine-4-carboxamide
PubChem CID114220460
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC NameN-cyclobutyl-N,6-dimethyl-2-(methylamino)pyrimidine-4-carboxamide
SMILESCNc1nc(C)cc(C(=O)N(C)C2CCC2)n1
InChIInChI=1S/C12H18N4O/c1-8-7-10(15-12(13-2)14-8)11(17)16(3)9-5-4-6-9/h7,9H,4-6H2,1-3H3,(H,13,14,15)
InChIKeyWCTBPVGHMUNUFD-UHFFFAOYSA-N
XLogP1.45
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dimethylanilino)-N-(1,1-dioxothiolan-3-yl)-N,6-dimethylpyrimidine-4-carboxamide
CID 109331482
N-(1,1-dioxothiolan-3-yl)-N,6-dimethyl-2-(2-methylanilino)pyrimidine-4-carboxamide
CID 109331475
2-(2,6-difluoroanilino)-N-(1,1-dioxothiolan-3-yl)-N,6-dimethylpyrimidine-4-carboxamide
CID 109331502
2-(cyclopentylamino)-6-methyl-N,N-dipropylpyrimidine-4-carboxamide
CID 109321987
1-chloro-N-cyclobutyl-N-methylisoquinoline-3-carboxamide
CID 115649159
6-[cyclopentyl(methyl)carbamoyl]pyridine-2-carboxylic acid
CID 43558469
2,6-dichloro-N-cyclohexyl-N-methylpyridine-4-carboxamide
CID 43235774
N-cyclopentyl-1-hydrazinyl-N-methylisoquinoline-3-carboxamide
CID 62243189
2-(cycloheptylamino)-6-methyl-N,N-dipropylpyrimidine-4-carboxamide
CID 109332852
6-methyl-2-(methylamino)pyrimidine-4-carbothioamide
CID 107546167
N-cycloheptyl-4-hydrazinyl-N-methylpyridine-2-carboxamide
CID 62236519
N-cyclobutyl-N-methyl-3-(methylamino)benzamide
CID 115160881

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-N,6-dimethyl-2-(methylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-cyclobutyl-N,6-dimethyl-2-(methylamino)pyrimidine-4-carboxamide (CID 114220460) is N-cyclobutyl-N,6-dimethyl-2-(methylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-cyclobutyl-N,6-dimethyl-2-(methylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-cyclobutyl-N,6-dimethyl-2-(methylamino)pyrimidine-4-carboxamide is CNc1nc(C)cc(C(=O)N(C)C2CCC2)n1.
What is the InChIKey of N-cyclobutyl-N,6-dimethyl-2-(methylamino)pyrimidine-4-carboxamide?
The InChIKey is WCTBPVGHMUNUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-8-7-10(15-12(13-2)14-8)11(17)16(3)9-5-4-6-9/h7,9H,4-6H2,1-3H3,(H,13,14,15).
What are the key properties of N-cyclobutyl-N,6-dimethyl-2-(methylamino)pyrimidine-4-carboxamide?
N-cyclobutyl-N,6-dimethyl-2-(methylamino)pyrimidine-4-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-N,6-dimethyl-2-(methylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 114220460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).