2-pyrimidin-4-ylpropanamide

C7H9N3O — CID 141053247

IUPAC2-pyrimidin-4-ylpropanamide
SMILESCC(C(N)=O)c1ccncn1
InChIInChI=1S/C7H9N3O/c1-5(7(8)11)6-2-3-9-4-10-6/h2-5H,1H3,(H2,8,11)
InChIKeyMPBLITCJFRPZRU-UHFFFAOYSA-N
MW151.17 g/mol
LogP0.07
Rot. Bonds2

About 2-pyrimidin-4-ylpropanamide

2-pyrimidin-4-ylpropanamide (PubChem CID 141053247) has the molecular formula C7H9N3O and a molecular weight of 151.17 g/mol. Its IUPAC name is 2-pyrimidin-4-ylpropanamide.

Molecular Properties

Compound Name2-pyrimidin-4-ylpropanamide
PubChem CID141053247
Molecular FormulaC7H9N3O
Molecular Weight151.17 g/mol
Exact Mass151.07
IUPAC Name2-pyrimidin-4-ylpropanamide
SMILESCC(C(N)=O)c1ccncn1
InChIInChI=1S/C7H9N3O/c1-5(7(8)11)6-2-3-9-4-10-6/h2-5H,1H3,(H2,8,11)
InChIKeyMPBLITCJFRPZRU-UHFFFAOYSA-N
XLogP0.07
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-pyrimidin-4-ylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-pyrimidin-4-ylpropanamide?
The IUPAC name of 2-pyrimidin-4-ylpropanamide (CID 141053247) is 2-pyrimidin-4-ylpropanamide.
What is the SMILES notation for 2-pyrimidin-4-ylpropanamide?
The canonical SMILES for 2-pyrimidin-4-ylpropanamide is CC(C(N)=O)c1ccncn1.
What is the InChIKey of 2-pyrimidin-4-ylpropanamide?
The InChIKey is MPBLITCJFRPZRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O/c1-5(7(8)11)6-2-3-9-4-10-6/h2-5H,1H3,(H2,8,11).
What are the key properties of 2-pyrimidin-4-ylpropanamide?
2-pyrimidin-4-ylpropanamide has a molecular weight of 151.17 g/mol, XLogP of 0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrimidin-4-ylpropanamide is sourced from PubChem (CID 141053247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).