3-methyl-2-pyrimidin-2-ylbutanamide

C9H13N3O — CID 70201981

IUPAC3-methyl-2-pyrimidin-2-ylbutanamide
SMILESCC(C)C(C(N)=O)c1ncccn1
InChIInChI=1S/C9H13N3O/c1-6(2)7(8(10)13)9-11-4-3-5-12-9/h3-7H,1-2H3,(H2,10,13)
InChIKeyDEZYTIMVMMRRAN-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.70
Rot. Bonds3

About 3-methyl-2-pyrimidin-2-ylbutanamide

3-methyl-2-pyrimidin-2-ylbutanamide (PubChem CID 70201981) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 3-methyl-2-pyrimidin-2-ylbutanamide.

Molecular Properties

Compound Name3-methyl-2-pyrimidin-2-ylbutanamide
PubChem CID70201981
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name3-methyl-2-pyrimidin-2-ylbutanamide
SMILESCC(C)C(C(N)=O)c1ncccn1
InChIInChI=1S/C9H13N3O/c1-6(2)7(8(10)13)9-11-4-3-5-12-9/h3-7H,1-2H3,(H2,10,13)
InChIKeyDEZYTIMVMMRRAN-UHFFFAOYSA-N
XLogP0.70
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-pyrimidin-2-ylbutanamide?
The IUPAC name of 3-methyl-2-pyrimidin-2-ylbutanamide (CID 70201981) is 3-methyl-2-pyrimidin-2-ylbutanamide.
What is the SMILES notation for 3-methyl-2-pyrimidin-2-ylbutanamide?
The canonical SMILES for 3-methyl-2-pyrimidin-2-ylbutanamide is CC(C)C(C(N)=O)c1ncccn1.
What is the InChIKey of 3-methyl-2-pyrimidin-2-ylbutanamide?
The InChIKey is DEZYTIMVMMRRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-6(2)7(8(10)13)9-11-4-3-5-12-9/h3-7H,1-2H3,(H2,10,13).
What are the key properties of 3-methyl-2-pyrimidin-2-ylbutanamide?
3-methyl-2-pyrimidin-2-ylbutanamide has a molecular weight of 179.22 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-pyrimidin-2-ylbutanamide is sourced from PubChem (CID 70201981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).