5-(ethylamino)-7-(6-methoxypyrazin-2-yl)-3-methylpyrido[4,3-d]pyrimidin-4-one

C15H16N6O2 — CID 66959287

IUPAC5-(ethylamino)-7-(6-methoxypyrazin-2-yl)-3-methylpyrido[4,3-d]pyrimidin-4-one
SMILESCCNc1nc(-c2cncc(OC)n2)cc2ncn(C)c(=O)c12
InChIInChI=1S/C15H16N6O2/c1-4-17-14-13-10(18-8-21(2)15(13)22)5-9(20-14)11-6-16-7-12(19-11)23-3/h5-8H,4H2,1-3H3,(H,17,20)
InChIKeyNBYGEUXGAXWMHX-UHFFFAOYSA-N
MW312.33 g/mol
LogP1.23
Rot. Bonds4

About 5-(ethylamino)-7-(6-methoxypyrazin-2-yl)-3-methylpyrido[4,3-d]pyrimidin-4-one

5-(ethylamino)-7-(6-methoxypyrazin-2-yl)-3-methylpyrido[4,3-d]pyrimidin-4-one (PubChem CID 66959287) has the molecular formula C15H16N6O2 and a molecular weight of 312.33 g/mol. Its IUPAC name is 5-(ethylamino)-7-(6-methoxypyrazin-2-yl)-3-methylpyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(ethylamino)-7-(6-methoxypyrazin-2-yl)-3-methylpyrido[4,3-d]pyrimidin-4-one
PubChem CID66959287
Molecular FormulaC15H16N6O2
Molecular Weight312.33 g/mol
Exact Mass312.13
IUPAC Name5-(ethylamino)-7-(6-methoxypyrazin-2-yl)-3-methylpyrido[4,3-d]pyrimidin-4-one
SMILESCCNc1nc(-c2cncc(OC)n2)cc2ncn(C)c(=O)c12
InChIInChI=1S/C15H16N6O2/c1-4-17-14-13-10(18-8-21(2)15(13)22)5-9(20-14)11-6-16-7-12(19-11)23-3/h5-8H,4H2,1-3H3,(H,17,20)
InChIKeyNBYGEUXGAXWMHX-UHFFFAOYSA-N
XLogP1.23
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(ethylamino)-7-(6-methoxypyrazin-2-yl)-3-methylpyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 5-(ethylamino)-7-(6-methoxypyrazin-2-yl)-3-methylpyrido[4,3-d]pyrimidin-4-one (CID 66959287) is 5-(ethylamino)-7-(6-methoxypyrazin-2-yl)-3-methylpyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(ethylamino)-7-(6-methoxypyrazin-2-yl)-3-methylpyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(ethylamino)-7-(6-methoxypyrazin-2-yl)-3-methylpyrido[4,3-d]pyrimidin-4-one is CCNc1nc(-c2cncc(OC)n2)cc2ncn(C)c(=O)c12.
What is the InChIKey of 5-(ethylamino)-7-(6-methoxypyrazin-2-yl)-3-methylpyrido[4,3-d]pyrimidin-4-one?
The InChIKey is NBYGEUXGAXWMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O2/c1-4-17-14-13-10(18-8-21(2)15(13)22)5-9(20-14)11-6-16-7-12(19-11)23-3/h5-8H,4H2,1-3H3,(H,17,20).
What are the key properties of 5-(ethylamino)-7-(6-methoxypyrazin-2-yl)-3-methylpyrido[4,3-d]pyrimidin-4-one?
5-(ethylamino)-7-(6-methoxypyrazin-2-yl)-3-methylpyrido[4,3-d]pyrimidin-4-one has a molecular weight of 312.33 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylamino)-7-(6-methoxypyrazin-2-yl)-3-methylpyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 66959287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).