6-methyl-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one

C8H11N3O — CID 136652404

IUPAC6-methyl-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
SMILESCC1Cc2c(nc[nH]c2=O)CN1
InChIInChI=1S/C8H11N3O/c1-5-2-6-7(3-9-5)10-4-11-8(6)12/h4-5,9H,2-3H2,1H3,(H,10,11,12)
InChIKeyXWWWEKPVNLZXHE-UHFFFAOYSA-N
MW165.20 g/mol
LogP-0.20
Rot. Bonds

About 6-methyl-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one

6-methyl-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one (PubChem CID 136652404) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 6-methyl-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-methyl-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
PubChem CID136652404
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name6-methyl-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
SMILESCC1Cc2c(nc[nH]c2=O)CN1
InChIInChI=1S/C8H11N3O/c1-5-2-6-7(3-9-5)10-4-11-8(6)12/h4-5,9H,2-3H2,1H3,(H,10,11,12)
InChIKeyXWWWEKPVNLZXHE-UHFFFAOYSA-N
XLogP-0.20
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 6-methyl-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one (CID 136652404) is 6-methyl-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-methyl-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 6-methyl-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one is CC1Cc2c(nc[nH]c2=O)CN1.
What is the InChIKey of 6-methyl-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one?
The InChIKey is XWWWEKPVNLZXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c1-5-2-6-7(3-9-5)10-4-11-8(6)12/h4-5,9H,2-3H2,1H3,(H,10,11,12).
What are the key properties of 6-methyl-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one?
6-methyl-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one has a molecular weight of 165.20 g/mol, XLogP of -0.20, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136652404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).