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

C8H10ClN3O2 — CID 136900944

IUPAC5-chloro-4-[(3S)-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-/m0/s1
InChIKeyCRQAAYFZFSLGNX-YFKPBYRVSA-N
MW215.64 g/mol
LogP-0.01
Rot. Bonds1

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

5-chloro-4-[(3S)-3-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one (PubChem CID 136900944) has the molecular formula C8H10ClN3O2 and a molecular weight of 215.64 g/mol. Its IUPAC name is 5-chloro-4-[(3S)-3-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-[(3S)-3-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one
PubChem CID136900944
Molecular FormulaC8H10ClN3O2
Molecular Weight215.64 g/mol
Exact Mass215.05
IUPAC Name5-chloro-4-[(3S)-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-/m0/s1
InChIKeyCRQAAYFZFSLGNX-YFKPBYRVSA-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

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Related Compounds

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
5-chloro-4-(3,4-dihydroxypyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136766520
4-(3,4-dihydroxypyrrolidin-1-yl)-5-iodo-1H-pyrimidin-6-one
CID 136766524
4-(3,4-dihydroxypyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136766527
5-chloro-4-[(3S)-3-hydroxypiperidin-1-yl]-1H-pyrimidin-6-one
CID 136811798
5-chloro-4-[cyclobutyl(2-hydroxyethyl)amino]-1H-pyrimidin-6-one
CID 136827317
5-chloro-4-(3-methoxypyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136868274
5-chloro-4-(3,4-dimethoxypyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136868276
5-chloro-4-(3-hydroxy-3-methylpyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136869198
5-amino-4-[(3R)-3-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 136900934
5-chloro-4-[(3R)-3-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 136900935

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[(3S)-3-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-[(3S)-3-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one (CID 136900944) is 5-chloro-4-[(3S)-3-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-[(3S)-3-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-[(3S)-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-[(3S)-3-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is CRQAAYFZFSLGNX-YFKPBYRVSA-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-/m0/s1.
What are the key properties of 5-chloro-4-[(3S)-3-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one?
5-chloro-4-[(3S)-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-[(3S)-3-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136900944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).