N-(4,6-dimethylpyrimidin-2-yl)-2-ethylbutanamide

C12H19N3O — CID 3617967

IUPACN-(4,6-dimethylpyrimidin-2-yl)-2-ethylbutanamide
SMILESCCC(CC)C(=O)Nc1nc(C)cc(C)n1
InChIInChI=1S/C12H19N3O/c1-5-10(6-2)11(16)15-12-13-8(3)7-9(4)14-12/h7,10H,5-6H2,1-4H3,(H,13,14,15,16)
InChIKeyZLEDHVOKXVZACZ-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.47
Rot. Bonds4

About N-(4,6-dimethylpyrimidin-2-yl)-2-ethylbutanamide

N-(4,6-dimethylpyrimidin-2-yl)-2-ethylbutanamide (PubChem CID 3617967) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is N-(4,6-dimethylpyrimidin-2-yl)-2-ethylbutanamide.

Molecular Properties

Compound NameN-(4,6-dimethylpyrimidin-2-yl)-2-ethylbutanamide
PubChem CID3617967
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC NameN-(4,6-dimethylpyrimidin-2-yl)-2-ethylbutanamide
SMILESCCC(CC)C(=O)Nc1nc(C)cc(C)n1
InChIInChI=1S/C12H19N3O/c1-5-10(6-2)11(16)15-12-13-8(3)7-9(4)14-12/h7,10H,5-6H2,1-4H3,(H,13,14,15,16)
InChIKeyZLEDHVOKXVZACZ-UHFFFAOYSA-N
XLogP2.47
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidine-4-carboxylic acid cyclopropylamide
CID 3223293
1-(4,6-dimethylpyrimidin-2-yl)-N-ethylpiperidine-3-carboxamide
CID 3224256
2-(4,6-Dimethylpyrimidin-2-yl)acetamide
CID 659932
1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidine-4-carboxylic acid (1,1-dimethyl-propyl)-amide
CID 653435
N-(4,6-dimethylpyrimidin-2-yl)-2-ethoxyacetamide
CID 1825627
N-{(cyclohexylamino)[(4,6-dimethyl-2-pyrimidinyl)amino]methylene}-3-oxobutanamide
CID 2952393
N-butyl-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide
CID 3223312
4-Methyl-pentan-2-one O-(4,6-dimethyl-pyrimidin-2-yl)-oxime
CID 5417820
2-Acetamido-4,6-dimethylpyrimidine
CID 3489296
1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidine-4-carboxylic acid propylamide
CID 655911
N-(4,6-dimethylpyrimidin-2-yl)-3-oxobutanamide
CID 1475982
2-(4,6-dimethylpyrimidin-2-yl)-4-ethyl-5-methyl-2,4-dihydro-3H-pyrazol-3-one
CID 4887072

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-2-ethylbutanamide?
The IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-2-ethylbutanamide (CID 3617967) is N-(4,6-dimethylpyrimidin-2-yl)-2-ethylbutanamide.
What is the SMILES notation for N-(4,6-dimethylpyrimidin-2-yl)-2-ethylbutanamide?
The canonical SMILES for N-(4,6-dimethylpyrimidin-2-yl)-2-ethylbutanamide is CCC(CC)C(=O)Nc1nc(C)cc(C)n1.
What is the InChIKey of N-(4,6-dimethylpyrimidin-2-yl)-2-ethylbutanamide?
The InChIKey is ZLEDHVOKXVZACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-5-10(6-2)11(16)15-12-13-8(3)7-9(4)14-12/h7,10H,5-6H2,1-4H3,(H,13,14,15,16).
What are the key properties of N-(4,6-dimethylpyrimidin-2-yl)-2-ethylbutanamide?
N-(4,6-dimethylpyrimidin-2-yl)-2-ethylbutanamide has a molecular weight of 221.30 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethylpyrimidin-2-yl)-2-ethylbutanamide is sourced from PubChem (CID 3617967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).