5-chloro-4-[(3R)-3-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one

C8H10ClN3O2 — CID 136900935

IUPAC5-chloro-4-[(3R)-3-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(N2CC[C@@H](O)C2)c1Cl
InChIInChI=1S/C8H10ClN3O2/c9-6-7(10-4-11-8(6)14)12-2-1-5(13)3-12/h4-5,13H,1-3H2,(H,10,11,14)/t5-/m1/s1
InChIKeyCRQAAYFZFSLGNX-RXMQYKEDSA-N
MW215.64 g/mol
LogP-0.01
Rot. Bonds1

About 5-chloro-4-[(3R)-3-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one

5-chloro-4-[(3R)-3-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one (PubChem CID 136900935) has the molecular formula C8H10ClN3O2 and a molecular weight of 215.64 g/mol. Its IUPAC name is 5-chloro-4-[(3R)-3-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-[(3R)-3-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one
PubChem CID136900935
Molecular FormulaC8H10ClN3O2
Molecular Weight215.64 g/mol
Exact Mass215.05
IUPAC Name5-chloro-4-[(3R)-3-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(N2CC[C@@H](O)C2)c1Cl
InChIInChI=1S/C8H10ClN3O2/c9-6-7(10-4-11-8(6)14)12-2-1-5(13)3-12/h4-5,13H,1-3H2,(H,10,11,14)/t5-/m1/s1
InChIKeyCRQAAYFZFSLGNX-RXMQYKEDSA-N
XLogP-0.01
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.64
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-chloro-4-[(3R)-3-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[(3R)-3-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-[(3R)-3-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one (CID 136900935) is 5-chloro-4-[(3R)-3-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-[(3R)-3-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-[(3R)-3-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one is O=c1[nH]cnc(N2CC[C@@H](O)C2)c1Cl.
What is the InChIKey of 5-chloro-4-[(3R)-3-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is CRQAAYFZFSLGNX-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H10ClN3O2/c9-6-7(10-4-11-8(6)14)12-2-1-5(13)3-12/h4-5,13H,1-3H2,(H,10,11,14)/t5-/m1/s1.
What are the key properties of 5-chloro-4-[(3R)-3-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one?
5-chloro-4-[(3R)-3-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 215.64 g/mol, XLogP of -0.01, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[(3R)-3-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136900935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).