4-amino-8-ethyl-2-(4-methylpiperazin-1-yl)-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid

C15H20N6O3 — CID 15097892

IUPAC4-amino-8-ethyl-2-(4-methylpiperazin-1-yl)-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid
SMILESCCn1cc(C(=O)O)c(=O)c2c(N)nc(N3CCN(C)CC3)nc21
InChIInChI=1S/C15H20N6O3/c1-3-20-8-9(14(23)24)11(22)10-12(16)17-15(18-13(10)20)21-6-4-19(2)5-7-21/h8H,3-7H2,1-2H3,(H,23,24)(H2,16,17,18)
InChIKeyFMNHCSCQESVKNL-UHFFFAOYSA-N
MW332.36 g/mol
LogP-0.16
Rot. Bonds3

About 4-amino-8-ethyl-2-(4-methylpiperazin-1-yl)-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid

4-amino-8-ethyl-2-(4-methylpiperazin-1-yl)-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid (PubChem CID 15097892) has the molecular formula C15H20N6O3 and a molecular weight of 332.36 g/mol. Its IUPAC name is 4-amino-8-ethyl-2-(4-methylpiperazin-1-yl)-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name4-amino-8-ethyl-2-(4-methylpiperazin-1-yl)-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid
PubChem CID15097892
Molecular FormulaC15H20N6O3
Molecular Weight332.36 g/mol
Exact Mass332.16
IUPAC Name4-amino-8-ethyl-2-(4-methylpiperazin-1-yl)-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid
SMILESCCn1cc(C(=O)O)c(=O)c2c(N)nc(N3CCN(C)CC3)nc21
InChIInChI=1S/C15H20N6O3/c1-3-20-8-9(14(23)24)11(22)10-12(16)17-15(18-13(10)20)21-6-4-19(2)5-7-21/h8H,3-7H2,1-2H3,(H,23,24)(H2,16,17,18)
InChIKeyFMNHCSCQESVKNL-UHFFFAOYSA-N
XLogP-0.16
TPSA117.58 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-amino-8-ethyl-2-(4-methylpiperazin-1-yl)-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid?
The IUPAC name of 4-amino-8-ethyl-2-(4-methylpiperazin-1-yl)-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid (CID 15097892) is 4-amino-8-ethyl-2-(4-methylpiperazin-1-yl)-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 4-amino-8-ethyl-2-(4-methylpiperazin-1-yl)-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid?
The canonical SMILES for 4-amino-8-ethyl-2-(4-methylpiperazin-1-yl)-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid is CCn1cc(C(=O)O)c(=O)c2c(N)nc(N3CCN(C)CC3)nc21.
What is the InChIKey of 4-amino-8-ethyl-2-(4-methylpiperazin-1-yl)-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid?
The InChIKey is FMNHCSCQESVKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O3/c1-3-20-8-9(14(23)24)11(22)10-12(16)17-15(18-13(10)20)21-6-4-19(2)5-7-21/h8H,3-7H2,1-2H3,(H,23,24)(H2,16,17,18).
What are the key properties of 4-amino-8-ethyl-2-(4-methylpiperazin-1-yl)-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid?
4-amino-8-ethyl-2-(4-methylpiperazin-1-yl)-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid has a molecular weight of 332.36 g/mol, XLogP of -0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-8-ethyl-2-(4-methylpiperazin-1-yl)-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 15097892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).