4-(3,4-dihydroxypyrrolidin-1-yl)-1H-pyrimidin-6-one

C8H11N3O3 — CID 136766527

IUPAC4-(3,4-dihydroxypyrrolidin-1-yl)-1H-pyrimidin-6-one
SMILESO=c1cc(N2CC(O)C(O)C2)nc[nH]1
InChIInChI=1S/C8H11N3O3/c12-5-2-11(3-6(5)13)7-1-8(14)10-4-9-7/h1,4-6,12-13H,2-3H2,(H,9,10,14)
InChIKeyYBLARNQONTXSOA-UHFFFAOYSA-N
MW197.19 g/mol
LogP-1.69
Rot. Bonds1

About 4-(3,4-dihydroxypyrrolidin-1-yl)-1H-pyrimidin-6-one

4-(3,4-dihydroxypyrrolidin-1-yl)-1H-pyrimidin-6-one (PubChem CID 136766527) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is 4-(3,4-dihydroxypyrrolidin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3,4-dihydroxypyrrolidin-1-yl)-1H-pyrimidin-6-one
PubChem CID136766527
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Name4-(3,4-dihydroxypyrrolidin-1-yl)-1H-pyrimidin-6-one
SMILESO=c1cc(N2CC(O)C(O)C2)nc[nH]1
InChIInChI=1S/C8H11N3O3/c12-5-2-11(3-6(5)13)7-1-8(14)10-4-9-7/h1,4-6,12-13H,2-3H2,(H,9,10,14)
InChIKeyYBLARNQONTXSOA-UHFFFAOYSA-N
XLogP-1.69
TPSA89.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 5-1.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-Hydroxypyrrolidin-1-yl)pyrimidin-4-ol
CID 59525968
4-[(3S)-3-hydroxypyrrolidin-1-yl]-5-iodo-1H-pyrimidin-6-one
CID 136689234
4-[(3R)-3-hydroxypyrrolidin-1-yl]-5-iodo-1H-pyrimidin-6-one
CID 136689235
4-(3-methoxypyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136706905
4-(3,4-dimethoxypyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136706911
5-chloro-4-(3,4-dihydroxypyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136766520
4-(3,4-dihydroxypyrrolidin-1-yl)-2-methyl-1H-pyrimidin-6-one
CID 136766521
5-amino-4-(3,4-dihydroxypyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136766522
5-bromo-4-(3,4-dihydroxypyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136766523
4-(3,4-dihydroxypyrrolidin-1-yl)-5-iodo-1H-pyrimidin-6-one
CID 136766524
2-cyclopropyl-4-(3,4-dihydroxypyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136766525
4-(3,4-dihydroxypyrrolidin-1-yl)-2-ethyl-1H-pyrimidin-6-one
CID 136766528

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydroxypyrrolidin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 4-(3,4-dihydroxypyrrolidin-1-yl)-1H-pyrimidin-6-one (CID 136766527) is 4-(3,4-dihydroxypyrrolidin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3,4-dihydroxypyrrolidin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3,4-dihydroxypyrrolidin-1-yl)-1H-pyrimidin-6-one is O=c1cc(N2CC(O)C(O)C2)nc[nH]1.
What is the InChIKey of 4-(3,4-dihydroxypyrrolidin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is YBLARNQONTXSOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c12-5-2-11(3-6(5)13)7-1-8(14)10-4-9-7/h1,4-6,12-13H,2-3H2,(H,9,10,14).
What are the key properties of 4-(3,4-dihydroxypyrrolidin-1-yl)-1H-pyrimidin-6-one?
4-(3,4-dihydroxypyrrolidin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 197.19 g/mol, XLogP of -1.69, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydroxypyrrolidin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136766527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).