4-(1-acetylpyrrolidin-2-yl)-2-methyl-1H-pyrimidin-6-one

C11H15N3O2 — CID 136804070

IUPAC4-(1-acetylpyrrolidin-2-yl)-2-methyl-1H-pyrimidin-6-one
SMILESCC(=O)N1CCCC1c1cc(=O)[nH]c(C)n1
InChIInChI=1S/C11H15N3O2/c1-7-12-9(6-11(16)13-7)10-4-3-5-14(10)8(2)15/h6,10H,3-5H2,1-2H3,(H,12,13,16)
InChIKeySZZGJAFVOUIPFF-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.76
Rot. Bonds1

About 4-(1-acetylpyrrolidin-2-yl)-2-methyl-1H-pyrimidin-6-one

4-(1-acetylpyrrolidin-2-yl)-2-methyl-1H-pyrimidin-6-one (PubChem CID 136804070) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 4-(1-acetylpyrrolidin-2-yl)-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(1-acetylpyrrolidin-2-yl)-2-methyl-1H-pyrimidin-6-one
PubChem CID136804070
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name4-(1-acetylpyrrolidin-2-yl)-2-methyl-1H-pyrimidin-6-one
SMILESCC(=O)N1CCCC1c1cc(=O)[nH]c(C)n1
InChIInChI=1S/C11H15N3O2/c1-7-12-9(6-11(16)13-7)10-4-3-5-14(10)8(2)15/h6,10H,3-5H2,1-2H3,(H,12,13,16)
InChIKeySZZGJAFVOUIPFF-UHFFFAOYSA-N
XLogP0.76
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-acetylpyrrolidin-2-yl)-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(1-acetylpyrrolidin-2-yl)-2-methyl-1H-pyrimidin-6-one (CID 136804070) is 4-(1-acetylpyrrolidin-2-yl)-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(1-acetylpyrrolidin-2-yl)-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(1-acetylpyrrolidin-2-yl)-2-methyl-1H-pyrimidin-6-one is CC(=O)N1CCCC1c1cc(=O)[nH]c(C)n1.
What is the InChIKey of 4-(1-acetylpyrrolidin-2-yl)-2-methyl-1H-pyrimidin-6-one?
The InChIKey is SZZGJAFVOUIPFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-7-12-9(6-11(16)13-7)10-4-3-5-14(10)8(2)15/h6,10H,3-5H2,1-2H3,(H,12,13,16).
What are the key properties of 4-(1-acetylpyrrolidin-2-yl)-2-methyl-1H-pyrimidin-6-one?
4-(1-acetylpyrrolidin-2-yl)-2-methyl-1H-pyrimidin-6-one has a molecular weight of 221.26 g/mol, XLogP of 0.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-acetylpyrrolidin-2-yl)-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136804070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).