6-methyl-1,2,3,5,7,8-hexahydropyrido[4,3-d]pyrimidin-4-one

C8H13N3O — CID 58863254

IUPAC6-methyl-1,2,3,5,7,8-hexahydropyrido[4,3-d]pyrimidin-4-one
SMILESCN1CCC2=C(C1)C(=O)NCN2
InChIInChI=1S/C8H13N3O/c1-11-3-2-7-6(4-11)8(12)10-5-9-7/h9H,2-5H2,1H3,(H,10,12)
InChIKeyRQFZAJUMAGTGDU-UHFFFAOYSA-N
MW167.21 g/mol
LogP-0.75
Rot. Bonds

About 6-methyl-1,2,3,5,7,8-hexahydropyrido[4,3-d]pyrimidin-4-one

6-methyl-1,2,3,5,7,8-hexahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 58863254) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 6-methyl-1,2,3,5,7,8-hexahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-methyl-1,2,3,5,7,8-hexahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID58863254
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name6-methyl-1,2,3,5,7,8-hexahydropyrido[4,3-d]pyrimidin-4-one
SMILESCN1CCC2=C(C1)C(=O)NCN2
InChIInChI=1S/C8H13N3O/c1-11-3-2-7-6(4-11)8(12)10-5-9-7/h9H,2-5H2,1H3,(H,10,12)
InChIKeyRQFZAJUMAGTGDU-UHFFFAOYSA-N
XLogP-0.75
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1,2,3,5,7,8-hexahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 6-methyl-1,2,3,5,7,8-hexahydropyrido[4,3-d]pyrimidin-4-one (CID 58863254) is 6-methyl-1,2,3,5,7,8-hexahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-methyl-1,2,3,5,7,8-hexahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 6-methyl-1,2,3,5,7,8-hexahydropyrido[4,3-d]pyrimidin-4-one is CN1CCC2=C(C1)C(=O)NCN2.
What is the InChIKey of 6-methyl-1,2,3,5,7,8-hexahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is RQFZAJUMAGTGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-11-3-2-7-6(4-11)8(12)10-5-9-7/h9H,2-5H2,1H3,(H,10,12).
What are the key properties of 6-methyl-1,2,3,5,7,8-hexahydropyrido[4,3-d]pyrimidin-4-one?
6-methyl-1,2,3,5,7,8-hexahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 167.21 g/mol, XLogP of -0.75, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1,2,3,5,7,8-hexahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 58863254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).