N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-ethylbutanamide

C14H24N4O — CID 72718149

IUPACN-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NCc1nc(C)cc(N(C)C)n1
InChIInChI=1S/C14H24N4O/c1-6-11(7-2)14(19)15-9-12-16-10(3)8-13(17-12)18(4)5/h8,11H,6-7,9H2,1-5H3,(H,15,19)
InChIKeyYJWDKBNYECCDLK-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.90
Rot. Bonds6

About N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-ethylbutanamide

N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-ethylbutanamide (PubChem CID 72718149) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-ethylbutanamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-ethylbutanamide
PubChem CID72718149
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC NameN-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NCc1nc(C)cc(N(C)C)n1
InChIInChI=1S/C14H24N4O/c1-6-11(7-2)14(19)15-9-12-16-10(3)8-13(17-12)18(4)5/h8,11H,6-7,9H2,1-5H3,(H,15,19)
InChIKeyYJWDKBNYECCDLK-UHFFFAOYSA-N
XLogP1.90
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-ethylbutanamide?
The IUPAC name of N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-ethylbutanamide (CID 72718149) is N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-ethylbutanamide.
What is the SMILES notation for N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-ethylbutanamide?
The canonical SMILES for N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-ethylbutanamide is CCC(CC)C(=O)NCc1nc(C)cc(N(C)C)n1.
What is the InChIKey of N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-ethylbutanamide?
The InChIKey is YJWDKBNYECCDLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-6-11(7-2)14(19)15-9-12-16-10(3)8-13(17-12)18(4)5/h8,11H,6-7,9H2,1-5H3,(H,15,19).
What are the key properties of N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-ethylbutanamide?
N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-ethylbutanamide has a molecular weight of 264.37 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-ethylbutanamide is sourced from PubChem (CID 72718149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).