2-(3-hydroxy-2-oxopyrrolidin-1-yl)pyrimidine-4-carbonitrile

C9H8N4O2 — CID 144779468

IUPAC2-(3-hydroxy-2-oxopyrrolidin-1-yl)pyrimidine-4-carbonitrile
SMILESN#Cc1ccnc(N2CCC(O)C2=O)n1
InChIInChI=1S/C9H8N4O2/c10-5-6-1-3-11-9(12-6)13-4-2-7(14)8(13)15/h1,3,7,14H,2,4H2
InChIKeyWHMGVQZIIJVCIH-UHFFFAOYSA-N
MW204.19 g/mol
LogP-0.55
Rot. Bonds1

About 2-(3-hydroxy-2-oxopyrrolidin-1-yl)pyrimidine-4-carbonitrile

2-(3-hydroxy-2-oxopyrrolidin-1-yl)pyrimidine-4-carbonitrile (PubChem CID 144779468) has the molecular formula C9H8N4O2 and a molecular weight of 204.19 g/mol. Its IUPAC name is 2-(3-hydroxy-2-oxopyrrolidin-1-yl)pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-(3-hydroxy-2-oxopyrrolidin-1-yl)pyrimidine-4-carbonitrile
PubChem CID144779468
Molecular FormulaC9H8N4O2
Molecular Weight204.19 g/mol
Exact Mass204.06
IUPAC Name2-(3-hydroxy-2-oxopyrrolidin-1-yl)pyrimidine-4-carbonitrile
SMILESN#Cc1ccnc(N2CCC(O)C2=O)n1
InChIInChI=1S/C9H8N4O2/c10-5-6-1-3-11-9(12-6)13-4-2-7(14)8(13)15/h1,3,7,14H,2,4H2
InChIKeyWHMGVQZIIJVCIH-UHFFFAOYSA-N
XLogP-0.55
TPSA90.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-2-oxopyrrolidin-1-yl)pyrimidine-4-carbonitrile?
The IUPAC name of 2-(3-hydroxy-2-oxopyrrolidin-1-yl)pyrimidine-4-carbonitrile (CID 144779468) is 2-(3-hydroxy-2-oxopyrrolidin-1-yl)pyrimidine-4-carbonitrile.
What is the SMILES notation for 2-(3-hydroxy-2-oxopyrrolidin-1-yl)pyrimidine-4-carbonitrile?
The canonical SMILES for 2-(3-hydroxy-2-oxopyrrolidin-1-yl)pyrimidine-4-carbonitrile is N#Cc1ccnc(N2CCC(O)C2=O)n1.
What is the InChIKey of 2-(3-hydroxy-2-oxopyrrolidin-1-yl)pyrimidine-4-carbonitrile?
The InChIKey is WHMGVQZIIJVCIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O2/c10-5-6-1-3-11-9(12-6)13-4-2-7(14)8(13)15/h1,3,7,14H,2,4H2.
What are the key properties of 2-(3-hydroxy-2-oxopyrrolidin-1-yl)pyrimidine-4-carbonitrile?
2-(3-hydroxy-2-oxopyrrolidin-1-yl)pyrimidine-4-carbonitrile has a molecular weight of 204.19 g/mol, XLogP of -0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-2-oxopyrrolidin-1-yl)pyrimidine-4-carbonitrile is sourced from PubChem (CID 144779468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).