2-pyrrolidin-2-yl-1H-pyrimidin-6-one

C8H11N3O — CID 63362689

IUPAC2-pyrrolidin-2-yl-1H-pyrimidin-6-one
SMILESO=c1ccnc(C2CCCN2)[nH]1
InChIInChI=1S/C8H11N3O/c12-7-3-5-10-8(11-7)6-2-1-4-9-6/h3,5-6,9H,1-2,4H2,(H,10,11,12)
InChIKeyPQWLVABKZYMMJW-UHFFFAOYSA-N
MW165.20 g/mol
LogP0.19
Rot. Bonds1

About 2-pyrrolidin-2-yl-1H-pyrimidin-6-one

2-pyrrolidin-2-yl-1H-pyrimidin-6-one (PubChem CID 63362689) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 2-pyrrolidin-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-pyrrolidin-2-yl-1H-pyrimidin-6-one
PubChem CID63362689
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name2-pyrrolidin-2-yl-1H-pyrimidin-6-one
SMILESO=c1ccnc(C2CCCN2)[nH]1
InChIInChI=1S/C8H11N3O/c12-7-3-5-10-8(11-7)6-2-1-4-9-6/h3,5-6,9H,1-2,4H2,(H,10,11,12)
InChIKeyPQWLVABKZYMMJW-UHFFFAOYSA-N
XLogP0.19
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-pyrrolidin-2-yl-1H-pyrimidin-6-one (CID 63362689) is 2-pyrrolidin-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-pyrrolidin-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-pyrrolidin-2-yl-1H-pyrimidin-6-one is O=c1ccnc(C2CCCN2)[nH]1.
What is the InChIKey of 2-pyrrolidin-2-yl-1H-pyrimidin-6-one?
The InChIKey is PQWLVABKZYMMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c12-7-3-5-10-8(11-7)6-2-1-4-9-6/h3,5-6,9H,1-2,4H2,(H,10,11,12).
What are the key properties of 2-pyrrolidin-2-yl-1H-pyrimidin-6-one?
2-pyrrolidin-2-yl-1H-pyrimidin-6-one has a molecular weight of 165.20 g/mol, XLogP of 0.19, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 63362689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).