6-acetyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C9H11N3O2 — CID 136693506

IUPAC6-acetyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCC(=O)N1CCc2nc[nH]c(=O)c2C1
InChIInChI=1S/C9H11N3O2/c1-6(13)12-3-2-8-7(4-12)9(14)11-5-10-8/h5H,2-4H2,1H3,(H,10,11,14)
InChIKeyGEDYJZOKBLIDBV-UHFFFAOYSA-N
MW193.21 g/mol
LogP-0.33
Rot. Bonds

About 6-acetyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

6-acetyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 136693506) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is 6-acetyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-acetyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID136693506
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name6-acetyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCC(=O)N1CCc2nc[nH]c(=O)c2C1
InChIInChI=1S/C9H11N3O2/c1-6(13)12-3-2-8-7(4-12)9(14)11-5-10-8/h5H,2-4H2,1H3,(H,10,11,14)
InChIKeyGEDYJZOKBLIDBV-UHFFFAOYSA-N
XLogP-0.33
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-acetyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 6-acetyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 136693506) is 6-acetyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-acetyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 6-acetyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is CC(=O)N1CCc2nc[nH]c(=O)c2C1.
What is the InChIKey of 6-acetyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is GEDYJZOKBLIDBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c1-6(13)12-3-2-8-7(4-12)9(14)11-5-10-8/h5H,2-4H2,1H3,(H,10,11,14).
What are the key properties of 6-acetyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
6-acetyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 193.21 g/mol, XLogP of -0.33, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 136693506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).