4-amino-8-ethyl-5-oxo-2-piperazin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid

C14H18N6O3 — CID 15097891

IUPAC4-amino-8-ethyl-5-oxo-2-piperazin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid
SMILESCCn1cc(C(=O)O)c(=O)c2c(N)nc(N3CCNCC3)nc21
InChIInChI=1S/C14H18N6O3/c1-2-19-7-8(13(22)23)10(21)9-11(15)17-14(18-12(9)19)20-5-3-16-4-6-20/h7,16H,2-6H2,1H3,(H,22,23)(H2,15,17,18)
InChIKeyZOCPBQYXABHCPQ-UHFFFAOYSA-N
MW318.34 g/mol
LogP-0.50
Rot. Bonds3

About 4-amino-8-ethyl-5-oxo-2-piperazin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid

4-amino-8-ethyl-5-oxo-2-piperazin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid (PubChem CID 15097891) has the molecular formula C14H18N6O3 and a molecular weight of 318.34 g/mol. Its IUPAC name is 4-amino-8-ethyl-5-oxo-2-piperazin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name4-amino-8-ethyl-5-oxo-2-piperazin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid
PubChem CID15097891
Molecular FormulaC14H18N6O3
Molecular Weight318.34 g/mol
Exact Mass318.14
IUPAC Name4-amino-8-ethyl-5-oxo-2-piperazin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid
SMILESCCn1cc(C(=O)O)c(=O)c2c(N)nc(N3CCNCC3)nc21
InChIInChI=1S/C14H18N6O3/c1-2-19-7-8(13(22)23)10(21)9-11(15)17-14(18-12(9)19)20-5-3-16-4-6-20/h7,16H,2-6H2,1H3,(H,22,23)(H2,15,17,18)
InChIKeyZOCPBQYXABHCPQ-UHFFFAOYSA-N
XLogP-0.50
TPSA126.37 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 5-0.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

Piromidic Acid
CID 4855
Pipemidic Acid
CID 4831
Pipemidic acid trihydrate
CID 153398
2-{4-[(Allylamino)carbonothioyl]-1-piperazinyl}-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid
CID 1619204
8-Ethyl-2-(4-(methylcarbamothioyl)piperazin-1-yl)-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid
CID 1266782
8-Ethyl-5-oxo-2-piperazin-4-ium-1-ylpyrido[2,3-d]pyrimidine-6-carboxylate
CID 6921791
8-Ethyl-5-oxo-2-(4-prop-2-ynylpiperazin-1-yl)pyrido[2,3-d]pyrimidine-6-carboxylic acid
CID 12917694
4-Amino-8-ethyl-5-oxo-2-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid
CID 15097890
4-Amino-8-ethyl-2-(4-methylpiperazin-1-yl)-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid
CID 15097892
2-(4,4-Dimethylpiperazin-4-ium-1-yl)-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid iodide
CID 172454608
5,8-Dihydro-8-ethyl-2-(4-methyl-1-piperazinyl)-5-oxopyrido-[2,3-d]pyrimidine-6-carboxylic acid
CID 12379019
8-Vinyl-5,8-dihydro-5-oxo-2-(1-piperazinyl)pyrido(2,3-d)pyrimidine-6-carboxylic
CID 12379020

Frequently Asked Questions

What is the IUPAC name of 4-amino-8-ethyl-5-oxo-2-piperazin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid?
The IUPAC name of 4-amino-8-ethyl-5-oxo-2-piperazin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid (CID 15097891) is 4-amino-8-ethyl-5-oxo-2-piperazin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 4-amino-8-ethyl-5-oxo-2-piperazin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid?
The canonical SMILES for 4-amino-8-ethyl-5-oxo-2-piperazin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid is CCn1cc(C(=O)O)c(=O)c2c(N)nc(N3CCNCC3)nc21.
What is the InChIKey of 4-amino-8-ethyl-5-oxo-2-piperazin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid?
The InChIKey is ZOCPBQYXABHCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O3/c1-2-19-7-8(13(22)23)10(21)9-11(15)17-14(18-12(9)19)20-5-3-16-4-6-20/h7,16H,2-6H2,1H3,(H,22,23)(H2,15,17,18).
What are the key properties of 4-amino-8-ethyl-5-oxo-2-piperazin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid?
4-amino-8-ethyl-5-oxo-2-piperazin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid has a molecular weight of 318.34 g/mol, XLogP of -0.50, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-8-ethyl-5-oxo-2-piperazin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 15097891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).