1-(5-chloropyrimidin-2-yl)-4-hydroxypyrrolidin-2-one

C8H8ClN3O2 — CID 168703639

IUPAC1-(5-chloropyrimidin-2-yl)-4-hydroxypyrrolidin-2-one
SMILESO=C1CC(O)CN1c1ncc(Cl)cn1
InChIInChI=1S/C8H8ClN3O2/c9-5-2-10-8(11-3-5)12-4-6(13)1-7(12)14/h2-3,6,13H,1,4H2
InChIKeyTWIORYSQTPGWRJ-UHFFFAOYSA-N
MW213.62 g/mol
LogP0.23
Rot. Bonds1

About 1-(5-chloropyrimidin-2-yl)-4-hydroxypyrrolidin-2-one

1-(5-chloropyrimidin-2-yl)-4-hydroxypyrrolidin-2-one (PubChem CID 168703639) has the molecular formula C8H8ClN3O2 and a molecular weight of 213.62 g/mol. Its IUPAC name is 1-(5-chloropyrimidin-2-yl)-4-hydroxypyrrolidin-2-one.

Molecular Properties

Compound Name1-(5-chloropyrimidin-2-yl)-4-hydroxypyrrolidin-2-one
PubChem CID168703639
Molecular FormulaC8H8ClN3O2
Molecular Weight213.62 g/mol
Exact Mass213.03
IUPAC Name1-(5-chloropyrimidin-2-yl)-4-hydroxypyrrolidin-2-one
SMILESO=C1CC(O)CN1c1ncc(Cl)cn1
InChIInChI=1S/C8H8ClN3O2/c9-5-2-10-8(11-3-5)12-4-6(13)1-7(12)14/h2-3,6,13H,1,4H2
InChIKeyTWIORYSQTPGWRJ-UHFFFAOYSA-N
XLogP0.23
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.62
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-1-(5-nitropyrimidin-2-yl)pyrrolidin-2-one
CID 168703641
1-(6-bromo-1,2,4-triazin-3-yl)-4-hydroxypyrrolidin-2-one
CID 168703642
1-(4,6-dichloro-1,3,5-triazin-2-yl)-4-hydroxypyrrolidin-2-one
CID 168704050
1-(6-chloro-3-pyridinyl)-4-hydroxypyrrolidin-2-one
CID 168703439
1-(5-acetyl-4-methylpyrimidin-2-yl)-4-hydroxypyrrolidin-2-one
CID 168701935
1-(5-bromo-3-chloro-2-pyridinyl)-4-hydroxypyrrolidin-2-one
CID 168703181
1-(2,6-dichloro-4-pyridinyl)-4-hydroxypyrrolidin-2-one
CID 168703824
1-(2-chloro-4-methylpyrimidin-5-yl)-4-hydroxypyrrolidin-2-one
CID 168702593
1-(6-chloro-4-methyl-3-pyridinyl)-4-hydroxypyrrolidin-2-one
CID 168702660
1-(3,6-dichloropyridazin-4-yl)-4-hydroxypyrrolidin-2-one
CID 168703833
4-hydroxy-1-(2-methyltetrazol-5-yl)pyrrolidin-2-one
CID 168702817
2-chloro-6-(4-hydroxy-2-oxopyrrolidin-1-yl)pyridine-4-carboxylic acid
CID 168703795

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloropyrimidin-2-yl)-4-hydroxypyrrolidin-2-one?
The IUPAC name of 1-(5-chloropyrimidin-2-yl)-4-hydroxypyrrolidin-2-one (CID 168703639) is 1-(5-chloropyrimidin-2-yl)-4-hydroxypyrrolidin-2-one.
What is the SMILES notation for 1-(5-chloropyrimidin-2-yl)-4-hydroxypyrrolidin-2-one?
The canonical SMILES for 1-(5-chloropyrimidin-2-yl)-4-hydroxypyrrolidin-2-one is O=C1CC(O)CN1c1ncc(Cl)cn1.
What is the InChIKey of 1-(5-chloropyrimidin-2-yl)-4-hydroxypyrrolidin-2-one?
The InChIKey is TWIORYSQTPGWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3O2/c9-5-2-10-8(11-3-5)12-4-6(13)1-7(12)14/h2-3,6,13H,1,4H2.
What are the key properties of 1-(5-chloropyrimidin-2-yl)-4-hydroxypyrrolidin-2-one?
1-(5-chloropyrimidin-2-yl)-4-hydroxypyrrolidin-2-one has a molecular weight of 213.62 g/mol, XLogP of 0.23, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloropyrimidin-2-yl)-4-hydroxypyrrolidin-2-one is sourced from PubChem (CID 168703639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).