1-(6-cyanopyrimidin-4-yl)azetidine-3-carboxylic acid

C9H8N4O2 — CID 127019238

IUPAC1-(6-cyanopyrimidin-4-yl)azetidine-3-carboxylic acid
SMILESN#Cc1cc(N2CC(C(=O)O)C2)ncn1
InChIInChI=1S/C9H8N4O2/c10-2-7-1-8(12-5-11-7)13-3-6(4-13)9(14)15/h1,5-6H,3-4H2,(H,14,15)
InChIKeyZQGDSVKXNRLGNH-UHFFFAOYSA-N
MW204.19 g/mol
LogP-0.13
Rot. Bonds2

About 1-(6-cyanopyrimidin-4-yl)azetidine-3-carboxylic acid

1-(6-cyanopyrimidin-4-yl)azetidine-3-carboxylic acid (PubChem CID 127019238) has the molecular formula C9H8N4O2 and a molecular weight of 204.19 g/mol. Its IUPAC name is 1-(6-cyanopyrimidin-4-yl)azetidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(6-cyanopyrimidin-4-yl)azetidine-3-carboxylic acid
PubChem CID127019238
Molecular FormulaC9H8N4O2
Molecular Weight204.19 g/mol
Exact Mass204.06
IUPAC Name1-(6-cyanopyrimidin-4-yl)azetidine-3-carboxylic acid
SMILESN#Cc1cc(N2CC(C(=O)O)C2)ncn1
InChIInChI=1S/C9H8N4O2/c10-2-7-1-8(12-5-11-7)13-3-6(4-13)9(14)15/h1,5-6H,3-4H2,(H,14,15)
InChIKeyZQGDSVKXNRLGNH-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

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Related Compounds

1-(6-cyanopyrimidin-4-yl)piperidine-4-carboxylic acid
CID 137333282
1-[6-(difluoromethyl)pyrimidin-4-yl]azetidine-3-carboxylic acid
CID 126849052
tert-butyl 1-(6-cyanopyrimidin-4-yl)piperidine-4-carboxylate
CID 162376246
6-[4-(3,4-dihydropyrazole-2-carbonyl)piperidin-1-yl]pyrimidine-4-carbonitrile
CID 168959394
6-(3,6-dihydro-2H-pyridin-1-yl)pyrimidine-4-carbonitrile
CID 130173880
1-[6-(cyclopropylmethyl)pyrimidin-4-yl]azetidine-3-carboxylic acid
CID 126848203
6-piperazin-1-ylpyrimidine-4-carbonitrile
CID 126980969
1-(4-cyanopyrimidin-2-yl)azetidine-3-carboxylic acid
CID 107542992
1-(6-thiophen-2-ylpyrimidin-4-yl)azetidine-3-carboxylic acid
CID 126848857
5-methyl-1-(6-piperidin-1-ylpyrimidin-4-yl)piperidine-3-carboxylic acid
CID 122106917
1-[6-(3-hydroxy-3-methylbut-1-ynyl)pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 169227295
6-[(2S,6S)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]pyrimidine-4-carbonitrile
CID 99778550

Frequently Asked Questions

What is the IUPAC name of 1-(6-cyanopyrimidin-4-yl)azetidine-3-carboxylic acid?
The IUPAC name of 1-(6-cyanopyrimidin-4-yl)azetidine-3-carboxylic acid (CID 127019238) is 1-(6-cyanopyrimidin-4-yl)azetidine-3-carboxylic acid.
What is the SMILES notation for 1-(6-cyanopyrimidin-4-yl)azetidine-3-carboxylic acid?
The canonical SMILES for 1-(6-cyanopyrimidin-4-yl)azetidine-3-carboxylic acid is N#Cc1cc(N2CC(C(=O)O)C2)ncn1.
What is the InChIKey of 1-(6-cyanopyrimidin-4-yl)azetidine-3-carboxylic acid?
The InChIKey is ZQGDSVKXNRLGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O2/c10-2-7-1-8(12-5-11-7)13-3-6(4-13)9(14)15/h1,5-6H,3-4H2,(H,14,15).
What are the key properties of 1-(6-cyanopyrimidin-4-yl)azetidine-3-carboxylic acid?
1-(6-cyanopyrimidin-4-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-(6-cyanopyrimidin-4-yl)azetidine-3-carboxylic acid is sourced from PubChem (CID 127019238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).