5-butyl-4-methyl-2-pyrrolidin-1-yl-1H-pyrimidin-6-one

C13H21N3O — CID 135418935

IUPAC5-butyl-4-methyl-2-pyrrolidin-1-yl-1H-pyrimidin-6-one
SMILESCCCCc1c(C)nc(N2CCCC2)[nH]c1=O
InChIInChI=1S/C13H21N3O/c1-3-4-7-11-10(2)14-13(15-12(11)17)16-8-5-6-9-16/h3-9H2,1-2H3,(H,14,15,17)
InChIKeyQCPJEEIERYUAOK-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.02
Rot. Bonds4

About 5-butyl-4-methyl-2-pyrrolidin-1-yl-1H-pyrimidin-6-one

5-butyl-4-methyl-2-pyrrolidin-1-yl-1H-pyrimidin-6-one (PubChem CID 135418935) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 5-butyl-4-methyl-2-pyrrolidin-1-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-butyl-4-methyl-2-pyrrolidin-1-yl-1H-pyrimidin-6-one
PubChem CID135418935
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name5-butyl-4-methyl-2-pyrrolidin-1-yl-1H-pyrimidin-6-one
SMILESCCCCc1c(C)nc(N2CCCC2)[nH]c1=O
InChIInChI=1S/C13H21N3O/c1-3-4-7-11-10(2)14-13(15-12(11)17)16-8-5-6-9-16/h3-9H2,1-2H3,(H,14,15,17)
InChIKeyQCPJEEIERYUAOK-UHFFFAOYSA-N
XLogP2.02
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-4-methyl-2-pyrrolidin-1-yl-1H-pyrimidin-6-one?
The IUPAC name of 5-butyl-4-methyl-2-pyrrolidin-1-yl-1H-pyrimidin-6-one (CID 135418935) is 5-butyl-4-methyl-2-pyrrolidin-1-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-butyl-4-methyl-2-pyrrolidin-1-yl-1H-pyrimidin-6-one?
The canonical SMILES for 5-butyl-4-methyl-2-pyrrolidin-1-yl-1H-pyrimidin-6-one is CCCCc1c(C)nc(N2CCCC2)[nH]c1=O.
What is the InChIKey of 5-butyl-4-methyl-2-pyrrolidin-1-yl-1H-pyrimidin-6-one?
The InChIKey is QCPJEEIERYUAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-3-4-7-11-10(2)14-13(15-12(11)17)16-8-5-6-9-16/h3-9H2,1-2H3,(H,14,15,17).
What are the key properties of 5-butyl-4-methyl-2-pyrrolidin-1-yl-1H-pyrimidin-6-one?
5-butyl-4-methyl-2-pyrrolidin-1-yl-1H-pyrimidin-6-one has a molecular weight of 235.33 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-4-methyl-2-pyrrolidin-1-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 135418935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).