2-pyrrolidin-3-yl-1H-pyrimidin-6-one

C8H11N3O — CID 84652110

IUPAC2-pyrrolidin-3-yl-1H-pyrimidin-6-one
SMILESO=c1ccnc(C2CCNC2)[nH]1
InChIInChI=1S/C8H11N3O/c12-7-2-4-10-8(11-7)6-1-3-9-5-6/h2,4,6,9H,1,3,5H2,(H,10,11,12)
InChIKeyFXWBKNAHDBMFOD-UHFFFAOYSA-N
MW165.20 g/mol
LogP-0.15
Rot. Bonds1

About 2-pyrrolidin-3-yl-1H-pyrimidin-6-one

2-pyrrolidin-3-yl-1H-pyrimidin-6-one (PubChem CID 84652110) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 2-pyrrolidin-3-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-pyrrolidin-3-yl-1H-pyrimidin-6-one
PubChem CID84652110
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name2-pyrrolidin-3-yl-1H-pyrimidin-6-one
SMILESO=c1ccnc(C2CCNC2)[nH]1
InChIInChI=1S/C8H11N3O/c12-7-2-4-10-8(11-7)6-1-3-9-5-6/h2,4,6,9H,1,3,5H2,(H,10,11,12)
InChIKeyFXWBKNAHDBMFOD-UHFFFAOYSA-N
XLogP-0.15
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 ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 45787579
2-(2-Aminoethyl)pyrimidin-4-OL
CID 18768454
2-(piperidin-4-ylmethyl)-1H-pyrimidin-6-one
CID 18726934
N-[2-(6-oxo-1H-pyrimidin-2-yl)ethyl]acetamide
CID 18768451
2-(2-Methylpropyl)pyrimidin-4-ol
CID 20081655
2-(Butan-2-yl)pyrimidin-4-ol
CID 62315252
2-(Piperidin-4-yl)-3,4-dihydropyrimidin-4-one
CID 63362688
2-(1-Aminopropan-2-yl)-3,4-dihydropyrimidin-4-one
CID 63362861
2-(Cyclopropylmethyl)pyrimidin-4-ol
CID 70520786
5-ethyl-2-pyrrolidin-3-yl-1H-pyrimidin-6-one
CID 84664919
2-(pyrrolidin-1-ylmethyl)-1H-pyrimidin-6-one
CID 133681607
2-methylpropane;2-(2-methylpropyl)-1H-pyrimidin-6-one
CID 157105506

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-3-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-pyrrolidin-3-yl-1H-pyrimidin-6-one (CID 84652110) is 2-pyrrolidin-3-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-pyrrolidin-3-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-pyrrolidin-3-yl-1H-pyrimidin-6-one is O=c1ccnc(C2CCNC2)[nH]1.
What is the InChIKey of 2-pyrrolidin-3-yl-1H-pyrimidin-6-one?
The InChIKey is FXWBKNAHDBMFOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c12-7-2-4-10-8(11-7)6-1-3-9-5-6/h2,4,6,9H,1,3,5H2,(H,10,11,12).
What are the key properties of 2-pyrrolidin-3-yl-1H-pyrimidin-6-one?
2-pyrrolidin-3-yl-1H-pyrimidin-6-one has a molecular weight of 165.20 g/mol, XLogP of -0.15, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-3-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 84652110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).