2-(2H-pyrimidin-1-yl)butanamide

C8H13N3O — CID 175270409

IUPAC2-(2H-pyrimidin-1-yl)butanamide
SMILESCCC(C(N)=O)N1C=CC=NC1
InChIInChI=1S/C8H13N3O/c1-2-7(8(9)12)11-5-3-4-10-6-11/h3-5,7H,2,6H2,1H3,(H2,9,12)
InChIKeyJPYGMHBAFLDGLE-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.11
Rot. Bonds3

About 2-(2H-pyrimidin-1-yl)butanamide

2-(2H-pyrimidin-1-yl)butanamide (PubChem CID 175270409) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 2-(2H-pyrimidin-1-yl)butanamide.

Molecular Properties

Compound Name2-(2H-pyrimidin-1-yl)butanamide
PubChem CID175270409
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name2-(2H-pyrimidin-1-yl)butanamide
SMILESCCC(C(N)=O)N1C=CC=NC1
InChIInChI=1S/C8H13N3O/c1-2-7(8(9)12)11-5-3-4-10-6-11/h3-5,7H,2,6H2,1H3,(H2,9,12)
InChIKeyJPYGMHBAFLDGLE-UHFFFAOYSA-N
XLogP0.11
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2H-pyrimidin-1-yl)butanamide?
The IUPAC name of 2-(2H-pyrimidin-1-yl)butanamide (CID 175270409) is 2-(2H-pyrimidin-1-yl)butanamide.
What is the SMILES notation for 2-(2H-pyrimidin-1-yl)butanamide?
The canonical SMILES for 2-(2H-pyrimidin-1-yl)butanamide is CCC(C(N)=O)N1C=CC=NC1.
What is the InChIKey of 2-(2H-pyrimidin-1-yl)butanamide?
The InChIKey is JPYGMHBAFLDGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-2-7(8(9)12)11-5-3-4-10-6-11/h3-5,7H,2,6H2,1H3,(H2,9,12).
What are the key properties of 2-(2H-pyrimidin-1-yl)butanamide?
2-(2H-pyrimidin-1-yl)butanamide has a molecular weight of 167.21 g/mol, XLogP of 0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2H-pyrimidin-1-yl)butanamide is sourced from PubChem (CID 175270409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).