4-(4-hydroxy-2-oxopyrrolidin-1-yl)pyrimidine-5-carbonitrile

C9H8N4O2 — CID 168703676

IUPAC4-(4-hydroxy-2-oxopyrrolidin-1-yl)pyrimidine-5-carbonitrile
SMILESN#Cc1cncnc1N1CC(O)CC1=O
InChIInChI=1S/C9H8N4O2/c10-2-6-3-11-5-12-9(6)13-4-7(14)1-8(13)15/h3,5,7,14H,1,4H2
InChIKeyZOXJHTMPDQZTIK-UHFFFAOYSA-N
MW204.19 g/mol
LogP-0.55
Rot. Bonds1

About 4-(4-hydroxy-2-oxopyrrolidin-1-yl)pyrimidine-5-carbonitrile

4-(4-hydroxy-2-oxopyrrolidin-1-yl)pyrimidine-5-carbonitrile (PubChem CID 168703676) has the molecular formula C9H8N4O2 and a molecular weight of 204.19 g/mol. Its IUPAC name is 4-(4-hydroxy-2-oxopyrrolidin-1-yl)pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-(4-hydroxy-2-oxopyrrolidin-1-yl)pyrimidine-5-carbonitrile
PubChem CID168703676
Molecular FormulaC9H8N4O2
Molecular Weight204.19 g/mol
Exact Mass204.06
IUPAC Name4-(4-hydroxy-2-oxopyrrolidin-1-yl)pyrimidine-5-carbonitrile
SMILESN#Cc1cncnc1N1CC(O)CC1=O
InChIInChI=1S/C9H8N4O2/c10-2-6-3-11-5-12-9(6)13-4-7(14)1-8(13)15/h3,5,7,14H,1,4H2
InChIKeyZOXJHTMPDQZTIK-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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Related Compounds

6-(4-hydroxy-2-oxopyrrolidin-1-yl)-5-methylpyridine-3-carbonitrile
CID 168702638
2-fluoro-4-(4-hydroxy-2-oxopyrrolidin-1-yl)benzonitrile
CID 168703363
2-bromo-5-(4-hydroxy-2-oxopyrrolidin-1-yl)benzonitrile
CID 168703343
4-bromo-2-(4-hydroxy-2-oxopyrrolidin-1-yl)benzonitrile
CID 107801564
5-chloro-2-(4-hydroxy-2-oxopyrrolidin-1-yl)benzonitrile
CID 168703507
3-(4-hydroxy-2-oxopyrrolidin-1-yl)pyridine-2-carbonitrile
CID 168703966
1-(5-aminopyrimidin-4-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 168692302
1-(5-bromo-3-chloro-2-pyridinyl)-4-hydroxypyrrolidin-2-one
CID 168703181
1-(5-bromo-3-cyano-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 168697511
1-(5-chloropyrimidin-2-yl)-4-hydroxypyrrolidin-2-one
CID 168703639
1-(5-bromo-3-fluoro-2-pyridinyl)-4-hydroxypyrrolidin-2-one
CID 168703201
methyl 1-(5-cyanopyrimidin-4-yl)-4-methylpyrrolidine-3-carboxylate
CID 112755154

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxy-2-oxopyrrolidin-1-yl)pyrimidine-5-carbonitrile?
The IUPAC name of 4-(4-hydroxy-2-oxopyrrolidin-1-yl)pyrimidine-5-carbonitrile (CID 168703676) is 4-(4-hydroxy-2-oxopyrrolidin-1-yl)pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-(4-hydroxy-2-oxopyrrolidin-1-yl)pyrimidine-5-carbonitrile?
The canonical SMILES for 4-(4-hydroxy-2-oxopyrrolidin-1-yl)pyrimidine-5-carbonitrile is N#Cc1cncnc1N1CC(O)CC1=O.
What is the InChIKey of 4-(4-hydroxy-2-oxopyrrolidin-1-yl)pyrimidine-5-carbonitrile?
The InChIKey is ZOXJHTMPDQZTIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O2/c10-2-6-3-11-5-12-9(6)13-4-7(14)1-8(13)15/h3,5,7,14H,1,4H2.
What are the key properties of 4-(4-hydroxy-2-oxopyrrolidin-1-yl)pyrimidine-5-carbonitrile?
4-(4-hydroxy-2-oxopyrrolidin-1-yl)pyrimidine-5-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 4-(4-hydroxy-2-oxopyrrolidin-1-yl)pyrimidine-5-carbonitrile is sourced from PubChem (CID 168703676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).