4-(2-formylimidazo[1,2-c]pyrimidin-5-yl)piperazine-1-carboxylic acid

C12H13N5O3 — CID 129249563

IUPAC4-(2-formylimidazo[1,2-c]pyrimidin-5-yl)piperazine-1-carboxylic acid
SMILESO=Cc1cn2c(N3CCN(C(=O)O)CC3)nccc2n1
InChIInChI=1S/C12H13N5O3/c18-8-9-7-17-10(14-9)1-2-13-11(17)15-3-5-16(6-4-15)12(19)20/h1-2,7-8H,3-6H2,(H,19,20)
InChIKeyBQMJREUGTSPLGW-UHFFFAOYSA-N
MW275.27 g/mol
LogP0.34
Rot. Bonds2

About 4-(2-formylimidazo[1,2-c]pyrimidin-5-yl)piperazine-1-carboxylic acid

4-(2-formylimidazo[1,2-c]pyrimidin-5-yl)piperazine-1-carboxylic acid (PubChem CID 129249563) has the molecular formula C12H13N5O3 and a molecular weight of 275.27 g/mol. Its IUPAC name is 4-(2-formylimidazo[1,2-c]pyrimidin-5-yl)piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-(2-formylimidazo[1,2-c]pyrimidin-5-yl)piperazine-1-carboxylic acid
PubChem CID129249563
Molecular FormulaC12H13N5O3
Molecular Weight275.27 g/mol
Exact Mass275.10
IUPAC Name4-(2-formylimidazo[1,2-c]pyrimidin-5-yl)piperazine-1-carboxylic acid
SMILESO=Cc1cn2c(N3CCN(C(=O)O)CC3)nccc2n1
InChIInChI=1S/C12H13N5O3/c18-8-9-7-17-10(14-9)1-2-13-11(17)15-3-5-16(6-4-15)12(19)20/h1-2,7-8H,3-6H2,(H,19,20)
InChIKeyBQMJREUGTSPLGW-UHFFFAOYSA-N
XLogP0.34
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-(2-methylimidazo[1,2-a]pyridin-5-yl)piperazine-1-carboxylic acid
CID 68647071
4-quinolin-3-ylpiperazine-1-carboxylic acid
CID 69402111
4-[2-[(3,5-difluorophenyl)methoxy]pyrimidin-4-yl]piperazine-1-carboxylic acid
CID 22248809
2-(3-oxo-5-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)acetic acid
CID 94672428
4-(2-phenylpropanoyl)piperazine-1-carboxylic acid
CID 123978290
4-[2-(4-phenylpiperazin-1-yl)pyrimidine-4-carbonyl]piperazine-1-carbaldehyde
CID 109302856
4-[2-(4-phenylpiperazine-1-carbonyl)-4-pyridinyl]piperazine-1-carbaldehyde
CID 109208886
4-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)piperidine-1-carboxylic acid
CID 174174048
4-(5-nitro-2-pyridinyl)-1,4-diazepane-1-carboxylic acid
CID 68559517
9H-fluoren-9-ylmethyl 4-[2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]imidazo[1,2-c]pyrimidin-5-yl]piperazine-1-carboxylate
CID 135375621
4-(5-formyl-1,2-benzoxazol-3-yl)piperazine-1-carboxylic acid
CID 170168216
4-(3-amino-5-bromopyrazin-2-yl)piperazine-1-carboxylic acid
CID 87383897

Frequently Asked Questions

What is the IUPAC name of 4-(2-formylimidazo[1,2-c]pyrimidin-5-yl)piperazine-1-carboxylic acid?
The IUPAC name of 4-(2-formylimidazo[1,2-c]pyrimidin-5-yl)piperazine-1-carboxylic acid (CID 129249563) is 4-(2-formylimidazo[1,2-c]pyrimidin-5-yl)piperazine-1-carboxylic acid.
What is the SMILES notation for 4-(2-formylimidazo[1,2-c]pyrimidin-5-yl)piperazine-1-carboxylic acid?
The canonical SMILES for 4-(2-formylimidazo[1,2-c]pyrimidin-5-yl)piperazine-1-carboxylic acid is O=Cc1cn2c(N3CCN(C(=O)O)CC3)nccc2n1.
What is the InChIKey of 4-(2-formylimidazo[1,2-c]pyrimidin-5-yl)piperazine-1-carboxylic acid?
The InChIKey is BQMJREUGTSPLGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O3/c18-8-9-7-17-10(14-9)1-2-13-11(17)15-3-5-16(6-4-15)12(19)20/h1-2,7-8H,3-6H2,(H,19,20).
What are the key properties of 4-(2-formylimidazo[1,2-c]pyrimidin-5-yl)piperazine-1-carboxylic acid?
4-(2-formylimidazo[1,2-c]pyrimidin-5-yl)piperazine-1-carboxylic acid has a molecular weight of 275.27 g/mol, XLogP of 0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-formylimidazo[1,2-c]pyrimidin-5-yl)piperazine-1-carboxylic acid is sourced from PubChem (CID 129249563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).