3-methyl-N-pyrimidin-5-ylbutanamide

C9H13N3O — CID 130219529

IUPAC3-methyl-N-pyrimidin-5-ylbutanamide
SMILESCC(C)CC(=O)Nc1cncnc1
InChIInChI=1S/C9H13N3O/c1-7(2)3-9(13)12-8-4-10-6-11-5-8/h4-7H,3H2,1-2H3,(H,12,13)
InChIKeyFOFUQXRDIVLJFF-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.46
Rot. Bonds3

About 3-methyl-N-pyrimidin-5-ylbutanamide

3-methyl-N-pyrimidin-5-ylbutanamide (PubChem CID 130219529) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 3-methyl-N-pyrimidin-5-ylbutanamide.

Molecular Properties

Compound Name3-methyl-N-pyrimidin-5-ylbutanamide
PubChem CID130219529
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name3-methyl-N-pyrimidin-5-ylbutanamide
SMILESCC(C)CC(=O)Nc1cncnc1
InChIInChI=1S/C9H13N3O/c1-7(2)3-9(13)12-8-4-10-6-11-5-8/h4-7H,3H2,1-2H3,(H,12,13)
InChIKeyFOFUQXRDIVLJFF-UHFFFAOYSA-N
XLogP1.46
TPSA54.88 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 ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-pyrimidin-5-ylacetamide
CID 107588365
2-methyl-4-oxo-2-propan-2-yl-4-(pyrimidin-5-ylamino)butanoic acid
CID 107587532
N-(4-hydroxyphenyl)-3-methylbutanamide
CID 836029
3-methyl-N-[4-(methylamino)phenyl]butanamide
CID 63090374
N-(3,5-difluorophenyl)-3-methylbutanamide
CID 2987889
4-methyl-3-(pyrimidin-5-ylcarbamoylamino)pentanoic acid
CID 107589431
N-(1-hydroxypyridin-1-ium-4-yl)-3-methylbutanamide
CID 142170970
3-methyl-N-(6-methylsulfonyl-3-pyridinyl)butanamide
CID 47212321
4-methyl-1-pyrimidin-5-ylpentan-2-one
CID 157112566
3-methyl-N-[4-(phenylcarbamoylamino)phenyl]butanamide
CID 17193970
2-[2-oxo-2-(pyrimidin-5-ylamino)ethyl]sulfanylacetic acid
CID 107587552
4-amino-3-methyl-N-[4-(3-methylbutanoylamino)phenyl]butanamide
CID 81084171

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-pyrimidin-5-ylbutanamide?
The IUPAC name of 3-methyl-N-pyrimidin-5-ylbutanamide (CID 130219529) is 3-methyl-N-pyrimidin-5-ylbutanamide.
What is the SMILES notation for 3-methyl-N-pyrimidin-5-ylbutanamide?
The canonical SMILES for 3-methyl-N-pyrimidin-5-ylbutanamide is CC(C)CC(=O)Nc1cncnc1.
What is the InChIKey of 3-methyl-N-pyrimidin-5-ylbutanamide?
The InChIKey is FOFUQXRDIVLJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-7(2)3-9(13)12-8-4-10-6-11-5-8/h4-7H,3H2,1-2H3,(H,12,13).
What are the key properties of 3-methyl-N-pyrimidin-5-ylbutanamide?
3-methyl-N-pyrimidin-5-ylbutanamide has a molecular weight of 179.22 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-pyrimidin-5-ylbutanamide is sourced from PubChem (CID 130219529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).