5-ethylpyrido[3,4-d]pyrimidin-8-amine

C9H10N4 — CID 172552138

IUPAC5-ethylpyrido[3,4-d]pyrimidin-8-amine
SMILESCCc1cnc(N)c2ncncc12
InChIInChI=1S/C9H10N4/c1-2-6-3-12-9(10)8-7(6)4-11-5-13-8/h3-5H,2H2,1H3,(H2,10,12)
InChIKeySDVGVCNITKHTIU-UHFFFAOYSA-N
MW174.21 g/mol
LogP1.17
Rot. Bonds1

About 5-ethylpyrido[3,4-d]pyrimidin-8-amine

5-ethylpyrido[3,4-d]pyrimidin-8-amine (PubChem CID 172552138) has the molecular formula C9H10N4 and a molecular weight of 174.21 g/mol. Its IUPAC name is 5-ethylpyrido[3,4-d]pyrimidin-8-amine.

Molecular Properties

Compound Name5-ethylpyrido[3,4-d]pyrimidin-8-amine
PubChem CID172552138
Molecular FormulaC9H10N4
Molecular Weight174.21 g/mol
Exact Mass174.09
IUPAC Name5-ethylpyrido[3,4-d]pyrimidin-8-amine
SMILESCCc1cnc(N)c2ncncc12
InChIInChI=1S/C9H10N4/c1-2-6-3-12-9(10)8-7(6)4-11-5-13-8/h3-5H,2H2,1H3,(H2,10,12)
InChIKeySDVGVCNITKHTIU-UHFFFAOYSA-N
XLogP1.17
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.21
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethylpyrido[3,4-d]pyrimidin-8-amine?
The IUPAC name of 5-ethylpyrido[3,4-d]pyrimidin-8-amine (CID 172552138) is 5-ethylpyrido[3,4-d]pyrimidin-8-amine.
What is the SMILES notation for 5-ethylpyrido[3,4-d]pyrimidin-8-amine?
The canonical SMILES for 5-ethylpyrido[3,4-d]pyrimidin-8-amine is CCc1cnc(N)c2ncncc12.
What is the InChIKey of 5-ethylpyrido[3,4-d]pyrimidin-8-amine?
The InChIKey is SDVGVCNITKHTIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4/c1-2-6-3-12-9(10)8-7(6)4-11-5-13-8/h3-5H,2H2,1H3,(H2,10,12).
What are the key properties of 5-ethylpyrido[3,4-d]pyrimidin-8-amine?
5-ethylpyrido[3,4-d]pyrimidin-8-amine has a molecular weight of 174.21 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylpyrido[3,4-d]pyrimidin-8-amine is sourced from PubChem (CID 172552138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).