1-(4-cyanopyrimidin-2-yl)azetidine-3-carboxylic acid

C9H8N4O2 — CID 107542992

IUPAC1-(4-cyanopyrimidin-2-yl)azetidine-3-carboxylic acid
SMILESN#Cc1ccnc(N2CC(C(=O)O)C2)n1
InChIInChI=1S/C9H8N4O2/c10-3-7-1-2-11-9(12-7)13-4-6(5-13)8(14)15/h1-2,6H,4-5H2,(H,14,15)
InChIKeyUOZLAJCKVQSQLO-UHFFFAOYSA-N
MW204.19 g/mol
LogP-0.13
Rot. Bonds2

About 1-(4-cyanopyrimidin-2-yl)azetidine-3-carboxylic acid

1-(4-cyanopyrimidin-2-yl)azetidine-3-carboxylic acid (PubChem CID 107542992) has the molecular formula C9H8N4O2 and a molecular weight of 204.19 g/mol. Its IUPAC name is 1-(4-cyanopyrimidin-2-yl)azetidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-cyanopyrimidin-2-yl)azetidine-3-carboxylic acid
PubChem CID107542992
Molecular FormulaC9H8N4O2
Molecular Weight204.19 g/mol
Exact Mass204.06
IUPAC Name1-(4-cyanopyrimidin-2-yl)azetidine-3-carboxylic acid
SMILESN#Cc1ccnc(N2CC(C(=O)O)C2)n1
InChIInChI=1S/C9H8N4O2/c10-3-7-1-2-11-9(12-7)13-4-6(5-13)8(14)15/h1-2,6H,4-5H2,(H,14,15)
InChIKeyUOZLAJCKVQSQLO-UHFFFAOYSA-N
XLogP-0.13
TPSA90.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(4-cyanopyrimidin-2-yl)azetidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,4-dimethoxypyrrolidin-1-yl)pyrimidine-4-carbonitrile
CID 107545460
1-(4-cyanopyrimidin-2-yl)-4-fluoropiperidine-4-carboxylic acid
CID 142475916
1-(4-ethynylpyrimidin-2-yl)piperidine-4-carboxylic acid
CID 170002296
2-(4-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)pyrimidine-4-carbonitrile
CID 107552715
4-(4-cyanopyrimidin-2-yl)morpholine-3-carboxylic acid
CID 107543044
2-(4-methylpiperazin-1-yl)pyrimidine-4-carbonitrile
CID 107543268
1-(4-cyanopyrimidin-2-yl)-6-methylpiperidine-3-carboxamide
CID 107544065
1-[1-(4-cyanopyrimidin-2-yl)piperidin-3-yl]-1,3,3-trimethylurea
CID 166605206
2-[5-[5-(2,5-difluorophenyl)pyrazole-1-carbonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]pyrimidine-4-carbonitrile
CID 155273256
1-(6-cyanopyrimidin-4-yl)azetidine-3-carboxylic acid
CID 127019238
2-[4-(methylaminomethyl)piperidin-1-yl]pyrimidine-4-carbonitrile
CID 107552490
2-(3-hydroxy-2-oxopyrrolidin-1-yl)pyrimidine-4-carbonitrile
CID 144779468

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyanopyrimidin-2-yl)azetidine-3-carboxylic acid?
The IUPAC name of 1-(4-cyanopyrimidin-2-yl)azetidine-3-carboxylic acid (CID 107542992) is 1-(4-cyanopyrimidin-2-yl)azetidine-3-carboxylic acid.
What is the SMILES notation for 1-(4-cyanopyrimidin-2-yl)azetidine-3-carboxylic acid?
The canonical SMILES for 1-(4-cyanopyrimidin-2-yl)azetidine-3-carboxylic acid is N#Cc1ccnc(N2CC(C(=O)O)C2)n1.
What is the InChIKey of 1-(4-cyanopyrimidin-2-yl)azetidine-3-carboxylic acid?
The InChIKey is UOZLAJCKVQSQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O2/c10-3-7-1-2-11-9(12-7)13-4-6(5-13)8(14)15/h1-2,6H,4-5H2,(H,14,15).
What are the key properties of 1-(4-cyanopyrimidin-2-yl)azetidine-3-carboxylic acid?
1-(4-cyanopyrimidin-2-yl)azetidine-3-carboxylic acid has a molecular weight of 204.19 g/mol, XLogP of -0.13, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyanopyrimidin-2-yl)azetidine-3-carboxylic acid is sourced from PubChem (CID 107542992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).