6-(6-ethoxypyrimidin-4-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C13H15N5O2 — CID 136532452

IUPAC6-(6-ethoxypyrimidin-4-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCCOc1cc(N2CCc3nc[nH]c(=O)c3C2)ncn1
InChIInChI=1S/C13H15N5O2/c1-2-20-12-5-11(15-8-16-12)18-4-3-10-9(6-18)13(19)17-7-14-10/h5,7-8H,2-4,6H2,1H3,(H,14,17,19)
InChIKeyZHFYQFKSSDIWHB-UHFFFAOYSA-N
MW273.30 g/mol
LogP0.52
Rot. Bonds3

About 6-(6-ethoxypyrimidin-4-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

6-(6-ethoxypyrimidin-4-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 136532452) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is 6-(6-ethoxypyrimidin-4-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(6-ethoxypyrimidin-4-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID136532452
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC Name6-(6-ethoxypyrimidin-4-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCCOc1cc(N2CCc3nc[nH]c(=O)c3C2)ncn1
InChIInChI=1S/C13H15N5O2/c1-2-20-12-5-11(15-8-16-12)18-4-3-10-9(6-18)13(19)17-7-14-10/h5,7-8H,2-4,6H2,1H3,(H,14,17,19)
InChIKeyZHFYQFKSSDIWHB-UHFFFAOYSA-N
XLogP0.52
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(6-ethoxypyrimidin-4-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 6-(6-ethoxypyrimidin-4-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 136532452) is 6-(6-ethoxypyrimidin-4-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-(6-ethoxypyrimidin-4-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 6-(6-ethoxypyrimidin-4-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is CCOc1cc(N2CCc3nc[nH]c(=O)c3C2)ncn1.
What is the InChIKey of 6-(6-ethoxypyrimidin-4-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is ZHFYQFKSSDIWHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2/c1-2-20-12-5-11(15-8-16-12)18-4-3-10-9(6-18)13(19)17-7-14-10/h5,7-8H,2-4,6H2,1H3,(H,14,17,19).
What are the key properties of 6-(6-ethoxypyrimidin-4-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
6-(6-ethoxypyrimidin-4-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 273.30 g/mol, XLogP of 0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-ethoxypyrimidin-4-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 136532452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).