3-methyl-N-(6-oxo-1H-pyrimidin-5-yl)butanamide

C9H13N3O2 — CID 130219534

IUPAC3-methyl-N-(6-oxo-1H-pyrimidin-5-yl)butanamide
SMILESCC(C)CC(=O)Nc1cnc[nH]c1=O
InChIInChI=1S/C9H13N3O2/c1-6(2)3-8(13)12-7-4-10-5-11-9(7)14/h4-6H,3H2,1-2H3,(H,12,13)(H,10,11,14)
InChIKeyTZFMZZJZHURRHT-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.75
Rot. Bonds3

About 3-methyl-N-(6-oxo-1H-pyrimidin-5-yl)butanamide

3-methyl-N-(6-oxo-1H-pyrimidin-5-yl)butanamide (PubChem CID 130219534) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 3-methyl-N-(6-oxo-1H-pyrimidin-5-yl)butanamide.

Molecular Properties

Compound Name3-methyl-N-(6-oxo-1H-pyrimidin-5-yl)butanamide
PubChem CID130219534
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name3-methyl-N-(6-oxo-1H-pyrimidin-5-yl)butanamide
SMILESCC(C)CC(=O)Nc1cnc[nH]c1=O
InChIInChI=1S/C9H13N3O2/c1-6(2)3-8(13)12-7-4-10-5-11-9(7)14/h4-6H,3H2,1-2H3,(H,12,13)(H,10,11,14)
InChIKeyTZFMZZJZHURRHT-UHFFFAOYSA-N
XLogP0.75
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[1-methyl-6-oxo-2-(trifluoromethyl)pyrimidin-5-yl]butanamide
CID 176873386
5-(Methylamino)-3-(3-oxobutan-2-yl)pyrimidin-4-one
CID 54078362
3-(3-methyl-2-oxobutyl)-5-(propan-2-ylamino)-2H-pyrimidin-2-id-4-one;rubidium(1+)
CID 59915852
5-(butylamino)-1H-pyrimidin-6-one
CID 68741569
N-(6-oxo-1H-pyrimidin-5-yl)propanamide
CID 130249193
N-(4-amino-6-oxo-1,6-dihydropyrimidin-5-yl)isobutyramide
CID 135741768
N-(4-amino-6-oxo-1H-pyrimidin-5-yl)butanamide
CID 135802456
5-[(1-amino-2-methylcyclopropyl)amino]-1H-pyrimidin-6-one
CID 140329316
N-(6-oxo-1H-pyrimidin-5-yl)acetamide
CID 140797759
(2S)-2-(6-oxopyrimidin-1-yl)butanamide
CID 141040928
2-(5-amino-6-oxopyrimidin-1-yl)-N-methylacetamide
CID 142232102
N-(1-methyl-6-oxopyrimidin-5-yl)propanamide
CID 170387111

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(6-oxo-1H-pyrimidin-5-yl)butanamide?
The IUPAC name of 3-methyl-N-(6-oxo-1H-pyrimidin-5-yl)butanamide (CID 130219534) is 3-methyl-N-(6-oxo-1H-pyrimidin-5-yl)butanamide.
What is the SMILES notation for 3-methyl-N-(6-oxo-1H-pyrimidin-5-yl)butanamide?
The canonical SMILES for 3-methyl-N-(6-oxo-1H-pyrimidin-5-yl)butanamide is CC(C)CC(=O)Nc1cnc[nH]c1=O.
What is the InChIKey of 3-methyl-N-(6-oxo-1H-pyrimidin-5-yl)butanamide?
The InChIKey is TZFMZZJZHURRHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-6(2)3-8(13)12-7-4-10-5-11-9(7)14/h4-6H,3H2,1-2H3,(H,12,13)(H,10,11,14).
What are the key properties of 3-methyl-N-(6-oxo-1H-pyrimidin-5-yl)butanamide?
3-methyl-N-(6-oxo-1H-pyrimidin-5-yl)butanamide has a molecular weight of 195.22 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(6-oxo-1H-pyrimidin-5-yl)butanamide is sourced from PubChem (CID 130219534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).