3,7-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one

C9H13N3O — CID 58863315

IUPAC3,7-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
SMILESCN1CCc2c(ncn(C)c2=O)C1
InChIInChI=1S/C9H13N3O/c1-11-4-3-7-8(5-11)10-6-12(2)9(7)13/h6H,3-5H2,1-2H3
InChIKeyZPDASYPLBDQLOJ-UHFFFAOYSA-N
MW179.22 g/mol
LogP-0.23
Rot. Bonds

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

3,7-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one (PubChem CID 58863315) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 3,7-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name3,7-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
PubChem CID58863315
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name3,7-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
SMILESCN1CCc2c(ncn(C)c2=O)C1
InChIInChI=1S/C9H13N3O/c1-11-4-3-7-8(5-11)10-6-12(2)9(7)13/h6H,3-5H2,1-2H3
InChIKeyZPDASYPLBDQLOJ-UHFFFAOYSA-N
XLogP-0.23
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 5-0.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 3,7-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one (CID 58863315) is 3,7-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 3,7-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 3,7-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one is CN1CCc2c(ncn(C)c2=O)C1.
What is the InChIKey of 3,7-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one?
The InChIKey is ZPDASYPLBDQLOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-11-4-3-7-8(5-11)10-6-12(2)9(7)13/h6H,3-5H2,1-2H3.
What are the key properties of 3,7-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one?
3,7-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one has a molecular weight of 179.22 g/mol, XLogP of -0.23, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 58863315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).