3-[4-(2-methylpropyl)-6-oxo-1H-pyrimidin-2-yl]propanamide

C11H17N3O2 — CID 146684492

IUPAC3-[4-(2-methylpropyl)-6-oxo-1H-pyrimidin-2-yl]propanamide
SMILESCC(C)Cc1cc(=O)[nH]c(CCC(N)=O)n1
InChIInChI=1S/C11H17N3O2/c1-7(2)5-8-6-11(16)14-10(13-8)4-3-9(12)15/h6-7H,3-5H2,1-2H3,(H2,12,15)(H,13,14,16)
InChIKeyYKZOVRRLWLNQJF-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.39
Rot. Bonds5

About 3-[4-(2-methylpropyl)-6-oxo-1H-pyrimidin-2-yl]propanamide

3-[4-(2-methylpropyl)-6-oxo-1H-pyrimidin-2-yl]propanamide (PubChem CID 146684492) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 3-[4-(2-methylpropyl)-6-oxo-1H-pyrimidin-2-yl]propanamide.

Molecular Properties

Compound Name3-[4-(2-methylpropyl)-6-oxo-1H-pyrimidin-2-yl]propanamide
PubChem CID146684492
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name3-[4-(2-methylpropyl)-6-oxo-1H-pyrimidin-2-yl]propanamide
SMILESCC(C)Cc1cc(=O)[nH]c(CCC(N)=O)n1
InChIInChI=1S/C11H17N3O2/c1-7(2)5-8-6-11(16)14-10(13-8)4-3-9(12)15/h6-7H,3-5H2,1-2H3,(H2,12,15)(H,13,14,16)
InChIKeyYKZOVRRLWLNQJF-UHFFFAOYSA-N
XLogP0.39
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methylpropyl)-6-oxo-1H-pyrimidin-2-yl]propanamide?
The IUPAC name of 3-[4-(2-methylpropyl)-6-oxo-1H-pyrimidin-2-yl]propanamide (CID 146684492) is 3-[4-(2-methylpropyl)-6-oxo-1H-pyrimidin-2-yl]propanamide.
What is the SMILES notation for 3-[4-(2-methylpropyl)-6-oxo-1H-pyrimidin-2-yl]propanamide?
The canonical SMILES for 3-[4-(2-methylpropyl)-6-oxo-1H-pyrimidin-2-yl]propanamide is CC(C)Cc1cc(=O)[nH]c(CCC(N)=O)n1.
What is the InChIKey of 3-[4-(2-methylpropyl)-6-oxo-1H-pyrimidin-2-yl]propanamide?
The InChIKey is YKZOVRRLWLNQJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-7(2)5-8-6-11(16)14-10(13-8)4-3-9(12)15/h6-7H,3-5H2,1-2H3,(H2,12,15)(H,13,14,16).
What are the key properties of 3-[4-(2-methylpropyl)-6-oxo-1H-pyrimidin-2-yl]propanamide?
3-[4-(2-methylpropyl)-6-oxo-1H-pyrimidin-2-yl]propanamide has a molecular weight of 223.28 g/mol, XLogP of 0.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methylpropyl)-6-oxo-1H-pyrimidin-2-yl]propanamide is sourced from PubChem (CID 146684492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).