3-(2-methyl-6-oxo-1H-pyrimidin-5-yl)propanamide

C8H11N3O2 — CID 171976382

IUPAC3-(2-methyl-6-oxo-1H-pyrimidin-5-yl)propanamide
SMILESCc1ncc(CCC(N)=O)c(=O)[nH]1
InChIInChI=1S/C8H11N3O2/c1-5-10-4-6(8(13)11-5)2-3-7(9)12/h4H,2-3H2,1H3,(H2,9,12)(H,10,11,13)
InChIKeySIJXLCCSKXMRRZ-UHFFFAOYSA-N
MW181.19 g/mol
LogP-0.50
Rot. Bonds3

About 3-(2-methyl-6-oxo-1H-pyrimidin-5-yl)propanamide

3-(2-methyl-6-oxo-1H-pyrimidin-5-yl)propanamide (PubChem CID 171976382) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 3-(2-methyl-6-oxo-1H-pyrimidin-5-yl)propanamide.

Molecular Properties

Compound Name3-(2-methyl-6-oxo-1H-pyrimidin-5-yl)propanamide
PubChem CID171976382
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name3-(2-methyl-6-oxo-1H-pyrimidin-5-yl)propanamide
SMILESCc1ncc(CCC(N)=O)c(=O)[nH]1
InChIInChI=1S/C8H11N3O2/c1-5-10-4-6(8(13)11-5)2-3-7(9)12/h4H,2-3H2,1H3,(H2,9,12)(H,10,11,13)
InChIKeySIJXLCCSKXMRRZ-UHFFFAOYSA-N
XLogP-0.50
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-6-oxo-1H-pyrimidin-5-yl)propanamide?
The IUPAC name of 3-(2-methyl-6-oxo-1H-pyrimidin-5-yl)propanamide (CID 171976382) is 3-(2-methyl-6-oxo-1H-pyrimidin-5-yl)propanamide.
What is the SMILES notation for 3-(2-methyl-6-oxo-1H-pyrimidin-5-yl)propanamide?
The canonical SMILES for 3-(2-methyl-6-oxo-1H-pyrimidin-5-yl)propanamide is Cc1ncc(CCC(N)=O)c(=O)[nH]1.
What is the InChIKey of 3-(2-methyl-6-oxo-1H-pyrimidin-5-yl)propanamide?
The InChIKey is SIJXLCCSKXMRRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-5-10-4-6(8(13)11-5)2-3-7(9)12/h4H,2-3H2,1H3,(H2,9,12)(H,10,11,13).
What are the key properties of 3-(2-methyl-6-oxo-1H-pyrimidin-5-yl)propanamide?
3-(2-methyl-6-oxo-1H-pyrimidin-5-yl)propanamide has a molecular weight of 181.19 g/mol, XLogP of -0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-6-oxo-1H-pyrimidin-5-yl)propanamide is sourced from PubChem (CID 171976382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).