4-[(3R)-3-hydroxypyrrolidin-1-yl]-2-methyl-1H-pyrimidin-6-one

C9H13N3O2 — CID 136900933

IUPAC4-[(3R)-3-hydroxypyrrolidin-1-yl]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(N2CC[C@@H](O)C2)cc(=O)[nH]1
InChIInChI=1S/C9H13N3O2/c1-6-10-8(4-9(14)11-6)12-3-2-7(13)5-12/h4,7,13H,2-3,5H2,1H3,(H,10,11,14)/t7-/m1/s1
InChIKeyOVGAZUFHUOKZHM-SSDOTTSWSA-N
MW195.22 g/mol
LogP-0.35
Rot. Bonds1

About 4-[(3R)-3-hydroxypyrrolidin-1-yl]-2-methyl-1H-pyrimidin-6-one

4-[(3R)-3-hydroxypyrrolidin-1-yl]-2-methyl-1H-pyrimidin-6-one (PubChem CID 136900933) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 4-[(3R)-3-hydroxypyrrolidin-1-yl]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(3R)-3-hydroxypyrrolidin-1-yl]-2-methyl-1H-pyrimidin-6-one
PubChem CID136900933
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name4-[(3R)-3-hydroxypyrrolidin-1-yl]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(N2CC[C@@H](O)C2)cc(=O)[nH]1
InChIInChI=1S/C9H13N3O2/c1-6-10-8(4-9(14)11-6)12-3-2-7(13)5-12/h4,7,13H,2-3,5H2,1H3,(H,10,11,14)/t7-/m1/s1
InChIKeyOVGAZUFHUOKZHM-SSDOTTSWSA-N
XLogP-0.35
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-hydroxypyrrolidin-1-yl]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(3R)-3-hydroxypyrrolidin-1-yl]-2-methyl-1H-pyrimidin-6-one (CID 136900933) is 4-[(3R)-3-hydroxypyrrolidin-1-yl]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(3R)-3-hydroxypyrrolidin-1-yl]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(3R)-3-hydroxypyrrolidin-1-yl]-2-methyl-1H-pyrimidin-6-one is Cc1nc(N2CC[C@@H](O)C2)cc(=O)[nH]1.
What is the InChIKey of 4-[(3R)-3-hydroxypyrrolidin-1-yl]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is OVGAZUFHUOKZHM-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-6-10-8(4-9(14)11-6)12-3-2-7(13)5-12/h4,7,13H,2-3,5H2,1H3,(H,10,11,14)/t7-/m1/s1.
What are the key properties of 4-[(3R)-3-hydroxypyrrolidin-1-yl]-2-methyl-1H-pyrimidin-6-one?
4-[(3R)-3-hydroxypyrrolidin-1-yl]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 195.22 g/mol, XLogP of -0.35, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-hydroxypyrrolidin-1-yl]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136900933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).