6-(2-methoxyacetyl)-2-pyrazin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C14H15N5O3 — CID 136820996

IUPAC6-(2-methoxyacetyl)-2-pyrazin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCOCC(=O)N1CCc2nc(-c3cnccn3)[nH]c(=O)c2C1
InChIInChI=1S/C14H15N5O3/c1-22-8-12(20)19-5-2-10-9(7-19)14(21)18-13(17-10)11-6-15-3-4-16-11/h3-4,6H,2,5,7-8H2,1H3,(H,17,18,21)
InChIKeyOKFIHZWCJYTFLA-UHFFFAOYSA-N
MW301.31 g/mol
LogP-0.24
Rot. Bonds3

About 6-(2-methoxyacetyl)-2-pyrazin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

6-(2-methoxyacetyl)-2-pyrazin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 136820996) has the molecular formula C14H15N5O3 and a molecular weight of 301.31 g/mol. Its IUPAC name is 6-(2-methoxyacetyl)-2-pyrazin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(2-methoxyacetyl)-2-pyrazin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID136820996
Molecular FormulaC14H15N5O3
Molecular Weight301.31 g/mol
Exact Mass301.12
IUPAC Name6-(2-methoxyacetyl)-2-pyrazin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCOCC(=O)N1CCc2nc(-c3cnccn3)[nH]c(=O)c2C1
InChIInChI=1S/C14H15N5O3/c1-22-8-12(20)19-5-2-10-9(7-19)14(21)18-13(17-10)11-6-15-3-4-16-11/h3-4,6H,2,5,7-8H2,1H3,(H,17,18,21)
InChIKeyOKFIHZWCJYTFLA-UHFFFAOYSA-N
XLogP-0.24
TPSA101.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[2-(4-methoxyphenoxy)acetyl]-2-pyrazin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136881319
7-(3-methoxypropanoyl)-2-pyrazin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136820999
6-(3-phenylpropanoyl)-2-pyrazin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136678859
6-(3-cyclopentylpropanoyl)-2-pyrazin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136881315
6-[4-(2,4-dimethylphenoxy)butanoyl]-2-pyrazin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136881343
6-[(2R)-2-(3-methoxyphenoxy)butanoyl]-2-pyrazin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136820861
6-[2-(2-fluorophenoxy)propanoyl]-2-pyrazin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136881348
6-[(2R)-2-phenylpropyl]-2-pyrazin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136886553
6-[(2,3-dimethoxyphenyl)methyl]-2-pyrazin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136881293
6-[(5-tert-butyl-2-methoxyphenyl)methyl]-2-pyrazin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136881299
7-[(2R)-2-(4-ethoxyphenoxy)propanoyl]-2-pyrazin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136820952
2-[(2S)-1-benzoylpiperidin-2-yl]-6-(2-methoxyacetyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136869518

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyacetyl)-2-pyrazin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 6-(2-methoxyacetyl)-2-pyrazin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 136820996) is 6-(2-methoxyacetyl)-2-pyrazin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-(2-methoxyacetyl)-2-pyrazin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 6-(2-methoxyacetyl)-2-pyrazin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is COCC(=O)N1CCc2nc(-c3cnccn3)[nH]c(=O)c2C1.
What is the InChIKey of 6-(2-methoxyacetyl)-2-pyrazin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is OKFIHZWCJYTFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O3/c1-22-8-12(20)19-5-2-10-9(7-19)14(21)18-13(17-10)11-6-15-3-4-16-11/h3-4,6H,2,5,7-8H2,1H3,(H,17,18,21).
What are the key properties of 6-(2-methoxyacetyl)-2-pyrazin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
6-(2-methoxyacetyl)-2-pyrazin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 301.31 g/mol, XLogP of -0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyacetyl)-2-pyrazin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 136820996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).