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

C9H13N3O — CID 924673

IUPACN-(4,6-dimethylpyrimidin-2-yl)propanamide
SMILESCCC(=O)Nc1nc(C)cc(C)n1
InChIInChI=1S/C9H13N3O/c1-4-8(13)12-9-10-6(2)5-7(3)11-9/h5H,4H2,1-3H3,(H,10,11,12,13)
InChIKeyKPCBBDLESNLBLO-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.44
Rot. Bonds2

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

N-(4,6-dimethylpyrimidin-2-yl)propanamide (PubChem CID 924673) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is N-(4,6-dimethylpyrimidin-2-yl)propanamide.

Molecular Properties

Compound NameN-(4,6-dimethylpyrimidin-2-yl)propanamide
PubChem CID924673
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC NameN-(4,6-dimethylpyrimidin-2-yl)propanamide
SMILESCCC(=O)Nc1nc(C)cc(C)n1
InChIInChI=1S/C9H13N3O/c1-4-8(13)12-9-10-6(2)5-7(3)11-9/h5H,4H2,1-3H3,(H,10,11,12,13)
InChIKeyKPCBBDLESNLBLO-UHFFFAOYSA-N
XLogP1.44
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)propanamide?
The IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)propanamide (CID 924673) is N-(4,6-dimethylpyrimidin-2-yl)propanamide.
What is the SMILES notation for N-(4,6-dimethylpyrimidin-2-yl)propanamide?
The canonical SMILES for N-(4,6-dimethylpyrimidin-2-yl)propanamide is CCC(=O)Nc1nc(C)cc(C)n1.
What is the InChIKey of N-(4,6-dimethylpyrimidin-2-yl)propanamide?
The InChIKey is KPCBBDLESNLBLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-4-8(13)12-9-10-6(2)5-7(3)11-9/h5H,4H2,1-3H3,(H,10,11,12,13).
What are the key properties of N-(4,6-dimethylpyrimidin-2-yl)propanamide?
N-(4,6-dimethylpyrimidin-2-yl)propanamide has a molecular weight of 179.22 g/mol, XLogP of 1.44, 2 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)propanamide is sourced from PubChem (CID 924673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).