2-pyrimidin-2-ylbutanamide

C8H11N3O — CID 67405203

IUPAC2-pyrimidin-2-ylbutanamide
SMILESCCC(C(N)=O)c1ncccn1
InChIInChI=1S/C8H11N3O/c1-2-6(7(9)12)8-10-4-3-5-11-8/h3-6H,2H2,1H3,(H2,9,12)
InChIKeyBNAOXGRYQPRTDO-UHFFFAOYSA-N
MW165.20 g/mol
LogP0.46
Rot. Bonds3

About 2-pyrimidin-2-ylbutanamide

2-pyrimidin-2-ylbutanamide (PubChem CID 67405203) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 2-pyrimidin-2-ylbutanamide.

Molecular Properties

Compound Name2-pyrimidin-2-ylbutanamide
PubChem CID67405203
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name2-pyrimidin-2-ylbutanamide
SMILESCCC(C(N)=O)c1ncccn1
InChIInChI=1S/C8H11N3O/c1-2-6(7(9)12)8-10-4-3-5-11-8/h3-6H,2H2,1H3,(H2,9,12)
InChIKeyBNAOXGRYQPRTDO-UHFFFAOYSA-N
XLogP0.46
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-pyrimidin-2-ylbutanamide?
The IUPAC name of 2-pyrimidin-2-ylbutanamide (CID 67405203) is 2-pyrimidin-2-ylbutanamide.
What is the SMILES notation for 2-pyrimidin-2-ylbutanamide?
The canonical SMILES for 2-pyrimidin-2-ylbutanamide is CCC(C(N)=O)c1ncccn1.
What is the InChIKey of 2-pyrimidin-2-ylbutanamide?
The InChIKey is BNAOXGRYQPRTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c1-2-6(7(9)12)8-10-4-3-5-11-8/h3-6H,2H2,1H3,(H2,9,12).
What are the key properties of 2-pyrimidin-2-ylbutanamide?
2-pyrimidin-2-ylbutanamide has a molecular weight of 165.20 g/mol, XLogP of 0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrimidin-2-ylbutanamide is sourced from PubChem (CID 67405203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).