1-[4-(4-aminopyrido[3,2-d]pyrimidin-6-yl)piperazin-1-yl]ethanone

C13H16N6O — CID 72704129

IUPAC1-[4-(4-aminopyrido[3,2-d]pyrimidin-6-yl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ccc3ncnc(N)c3n2)CC1
InChIInChI=1S/C13H16N6O/c1-9(20)18-4-6-19(7-5-18)11-3-2-10-12(17-11)13(14)16-8-15-10/h2-3,8H,4-7H2,1H3,(H2,14,15,16)
InChIKeyLGEDCLXWGKQOIX-UHFFFAOYSA-N
MW272.31 g/mol
LogP0.28
Rot. Bonds1

About 1-[4-(4-aminopyrido[3,2-d]pyrimidin-6-yl)piperazin-1-yl]ethanone

1-[4-(4-aminopyrido[3,2-d]pyrimidin-6-yl)piperazin-1-yl]ethanone (PubChem CID 72704129) has the molecular formula C13H16N6O and a molecular weight of 272.31 g/mol. Its IUPAC name is 1-[4-(4-aminopyrido[3,2-d]pyrimidin-6-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(4-aminopyrido[3,2-d]pyrimidin-6-yl)piperazin-1-yl]ethanone
PubChem CID72704129
Molecular FormulaC13H16N6O
Molecular Weight272.31 g/mol
Exact Mass272.14
IUPAC Name1-[4-(4-aminopyrido[3,2-d]pyrimidin-6-yl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ccc3ncnc(N)c3n2)CC1
InChIInChI=1S/C13H16N6O/c1-9(20)18-4-6-19(7-5-18)11-3-2-10-12(17-11)13(14)16-8-15-10/h2-3,8H,4-7H2,1H3,(H2,14,15,16)
InChIKeyLGEDCLXWGKQOIX-UHFFFAOYSA-N
XLogP0.28
TPSA88.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-aminopyrido[3,2-d]pyrimidin-6-yl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(4-aminopyrido[3,2-d]pyrimidin-6-yl)piperazin-1-yl]ethanone (CID 72704129) is 1-[4-(4-aminopyrido[3,2-d]pyrimidin-6-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(4-aminopyrido[3,2-d]pyrimidin-6-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(4-aminopyrido[3,2-d]pyrimidin-6-yl)piperazin-1-yl]ethanone is CC(=O)N1CCN(c2ccc3ncnc(N)c3n2)CC1.
What is the InChIKey of 1-[4-(4-aminopyrido[3,2-d]pyrimidin-6-yl)piperazin-1-yl]ethanone?
The InChIKey is LGEDCLXWGKQOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O/c1-9(20)18-4-6-19(7-5-18)11-3-2-10-12(17-11)13(14)16-8-15-10/h2-3,8H,4-7H2,1H3,(H2,14,15,16).
What are the key properties of 1-[4-(4-aminopyrido[3,2-d]pyrimidin-6-yl)piperazin-1-yl]ethanone?
1-[4-(4-aminopyrido[3,2-d]pyrimidin-6-yl)piperazin-1-yl]ethanone has a molecular weight of 272.31 g/mol, XLogP of 0.28, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-aminopyrido[3,2-d]pyrimidin-6-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 72704129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).