4-pyrrolidin-1-yl-1H-pyrimidin-6-one

C8H11N3O — CID 136957359

IUPAC4-pyrrolidin-1-yl-1H-pyrimidin-6-one
SMILESO=c1cc(N2CCCC2)nc[nH]1
InChIInChI=1S/C8H11N3O/c12-8-5-7(9-6-10-8)11-3-1-2-4-11/h5-6H,1-4H2,(H,9,10,12)
InChIKeyGPKJXKDHPNCDIQ-UHFFFAOYSA-N
MW165.20 g/mol
LogP0.37
Rot. Bonds1

About 4-pyrrolidin-1-yl-1H-pyrimidin-6-one

4-pyrrolidin-1-yl-1H-pyrimidin-6-one (PubChem CID 136957359) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 4-pyrrolidin-1-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-pyrrolidin-1-yl-1H-pyrimidin-6-one
PubChem CID136957359
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name4-pyrrolidin-1-yl-1H-pyrimidin-6-one
SMILESO=c1cc(N2CCCC2)nc[nH]1
InChIInChI=1S/C8H11N3O/c12-8-5-7(9-6-10-8)11-3-1-2-4-11/h5-6H,1-4H2,(H,9,10,12)
InChIKeyGPKJXKDHPNCDIQ-UHFFFAOYSA-N
XLogP0.37
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-pyrrolidin-1-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-pyrrolidin-1-yl-1H-pyrimidin-6-one (CID 136957359) is 4-pyrrolidin-1-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-pyrrolidin-1-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-pyrrolidin-1-yl-1H-pyrimidin-6-one is O=c1cc(N2CCCC2)nc[nH]1.
What is the InChIKey of 4-pyrrolidin-1-yl-1H-pyrimidin-6-one?
The InChIKey is GPKJXKDHPNCDIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c12-8-5-7(9-6-10-8)11-3-1-2-4-11/h5-6H,1-4H2,(H,9,10,12).
What are the key properties of 4-pyrrolidin-1-yl-1H-pyrimidin-6-one?
4-pyrrolidin-1-yl-1H-pyrimidin-6-one has a molecular weight of 165.20 g/mol, XLogP of 0.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrrolidin-1-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136957359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).