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

C8H11N3O2 — CID 105439300

IUPAC4-hydroxy-2-pyrrolidin-3-yl-1H-pyrimidin-6-one
SMILESO=c1cc(O)nc(C2CCNC2)[nH]1
InChIInChI=1S/C8H11N3O2/c12-6-3-7(13)11-8(10-6)5-1-2-9-4-5/h3,5,9H,1-2,4H2,(H2,10,11,12,13)
InChIKeyMHKNNCOWZREBCE-UHFFFAOYSA-N
MW181.19 g/mol
LogP-0.45
Rot. Bonds1

About 4-hydroxy-2-pyrrolidin-3-yl-1H-pyrimidin-6-one

4-hydroxy-2-pyrrolidin-3-yl-1H-pyrimidin-6-one (PubChem CID 105439300) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 4-hydroxy-2-pyrrolidin-3-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-2-pyrrolidin-3-yl-1H-pyrimidin-6-one
PubChem CID105439300
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name4-hydroxy-2-pyrrolidin-3-yl-1H-pyrimidin-6-one
SMILESO=c1cc(O)nc(C2CCNC2)[nH]1
InChIInChI=1S/C8H11N3O2/c12-6-3-7(13)11-8(10-6)5-1-2-9-4-5/h3,5,9H,1-2,4H2,(H2,10,11,12,13)
InChIKeyMHKNNCOWZREBCE-UHFFFAOYSA-N
XLogP-0.45
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 5-0.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-Aminopropyl)pyrimidine-4,6-diol
CID 63554638
2-(Butan-2-yl)-6-hydroxypyrimidin-4(3H)-one
CID 12320326
6-Hydroxy-2-isobutylpyrimidin-4(3H)-one
CID 12320327
4-hydroxy-2-piperidin-3-yl-1H-pyrimidin-6-one
CID 63554635
4-hydroxy-2-piperidin-3-yl-1H-pyrimidin-6-one;hydrochloride
CID 153615359
CID 157939666
CID 157939666
2-(2-Aminoethyl)pyrimidine-4,6-diol
CID 28063653
4-hydroxy-2-piperidin-4-yl-1H-pyrimidin-6-one
CID 63555169
2-(1-Aminopropan-2-yl)-6-hydroxy-3,4-dihydropyrimidin-4-one
CID 63555178
4-hydroxy-2-pyrrolidin-2-yl-1H-pyrimidin-6-one
CID 63555529
6-Hydroxy-2-[2-(methylamino)ethyl]-3,4-dihydropyrimidin-4-one
CID 63555705
2-(1-amino-2-methylpropyl)-4-hydroxy-1H-pyrimidin-6-one
CID 63555877

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-pyrrolidin-3-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-2-pyrrolidin-3-yl-1H-pyrimidin-6-one (CID 105439300) is 4-hydroxy-2-pyrrolidin-3-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-2-pyrrolidin-3-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-2-pyrrolidin-3-yl-1H-pyrimidin-6-one is O=c1cc(O)nc(C2CCNC2)[nH]1.
What is the InChIKey of 4-hydroxy-2-pyrrolidin-3-yl-1H-pyrimidin-6-one?
The InChIKey is MHKNNCOWZREBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c12-6-3-7(13)11-8(10-6)5-1-2-9-4-5/h3,5,9H,1-2,4H2,(H2,10,11,12,13).
What are the key properties of 4-hydroxy-2-pyrrolidin-3-yl-1H-pyrimidin-6-one?
4-hydroxy-2-pyrrolidin-3-yl-1H-pyrimidin-6-one has a molecular weight of 181.19 g/mol, XLogP of -0.45, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-pyrrolidin-3-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 105439300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).