1-(2-chloro-4-methylpyrimidin-5-yl)-4-hydroxypyrrolidin-2-one

C9H10ClN3O2 — CID 168702593

IUPAC1-(2-chloro-4-methylpyrimidin-5-yl)-4-hydroxypyrrolidin-2-one
SMILESCc1nc(Cl)ncc1N1CC(O)CC1=O
InChIInChI=1S/C9H10ClN3O2/c1-5-7(3-11-9(10)12-5)13-4-6(14)2-8(13)15/h3,6,14H,2,4H2,1H3
InChIKeyXJUQWYIFBLUPEY-UHFFFAOYSA-N
MW227.65 g/mol
LogP0.54
Rot. Bonds1

About 1-(2-chloro-4-methylpyrimidin-5-yl)-4-hydroxypyrrolidin-2-one

1-(2-chloro-4-methylpyrimidin-5-yl)-4-hydroxypyrrolidin-2-one (PubChem CID 168702593) has the molecular formula C9H10ClN3O2 and a molecular weight of 227.65 g/mol. Its IUPAC name is 1-(2-chloro-4-methylpyrimidin-5-yl)-4-hydroxypyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-chloro-4-methylpyrimidin-5-yl)-4-hydroxypyrrolidin-2-one
PubChem CID168702593
Molecular FormulaC9H10ClN3O2
Molecular Weight227.65 g/mol
Exact Mass227.05
IUPAC Name1-(2-chloro-4-methylpyrimidin-5-yl)-4-hydroxypyrrolidin-2-one
SMILESCc1nc(Cl)ncc1N1CC(O)CC1=O
InChIInChI=1S/C9H10ClN3O2/c1-5-7(3-11-9(10)12-5)13-4-6(14)2-8(13)15/h3,6,14H,2,4H2,1H3
InChIKeyXJUQWYIFBLUPEY-UHFFFAOYSA-N
XLogP0.54
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.65
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(chloromethyl)-1-(2-chloro-4-methylpyrimidin-5-yl)pyrrolidin-2-one
CID 168507867
1-(6-chloro-4-methyl-3-pyridinyl)-4-hydroxypyrrolidin-2-one
CID 168702660
1-(6-chloro-3-pyridinyl)-4-hydroxypyrrolidin-2-one
CID 168703439
1-(5-chloropyrimidin-2-yl)-4-hydroxypyrrolidin-2-one
CID 168703639
4-chloro-1-(2,4-dichloropyrimidin-5-yl)pyrrolidin-2-one
CID 168689444
1-(4,6-dichloro-1,3,5-triazin-2-yl)-4-hydroxypyrrolidin-2-one
CID 168704050
1-(5,6-dimethyl-3-pyridinyl)-4-hydroxypyrrolidin-2-one
CID 168702673
1-(8-chloronaphthalen-1-yl)-4-hydroxypyrrolidin-2-one
CID 168703739
1-(5-acetyl-4-methylpyrimidin-2-yl)-4-hydroxypyrrolidin-2-one
CID 168701935
1-(2,6-dichloro-4-pyridinyl)-4-hydroxypyrrolidin-2-one
CID 168703824
1-(3,6-dichloropyridazin-4-yl)-4-hydroxypyrrolidin-2-one
CID 168703833
1-(5-bromo-3-chloro-2-pyridinyl)-4-hydroxypyrrolidin-2-one
CID 168703181

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methylpyrimidin-5-yl)-4-hydroxypyrrolidin-2-one?
The IUPAC name of 1-(2-chloro-4-methylpyrimidin-5-yl)-4-hydroxypyrrolidin-2-one (CID 168702593) is 1-(2-chloro-4-methylpyrimidin-5-yl)-4-hydroxypyrrolidin-2-one.
What is the SMILES notation for 1-(2-chloro-4-methylpyrimidin-5-yl)-4-hydroxypyrrolidin-2-one?
The canonical SMILES for 1-(2-chloro-4-methylpyrimidin-5-yl)-4-hydroxypyrrolidin-2-one is Cc1nc(Cl)ncc1N1CC(O)CC1=O.
What is the InChIKey of 1-(2-chloro-4-methylpyrimidin-5-yl)-4-hydroxypyrrolidin-2-one?
The InChIKey is XJUQWYIFBLUPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3O2/c1-5-7(3-11-9(10)12-5)13-4-6(14)2-8(13)15/h3,6,14H,2,4H2,1H3.
What are the key properties of 1-(2-chloro-4-methylpyrimidin-5-yl)-4-hydroxypyrrolidin-2-one?
1-(2-chloro-4-methylpyrimidin-5-yl)-4-hydroxypyrrolidin-2-one has a molecular weight of 227.65 g/mol, XLogP of 0.54, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-methylpyrimidin-5-yl)-4-hydroxypyrrolidin-2-one is sourced from PubChem (CID 168702593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).