7-methyl-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione

C8H11N3O2 — CID 58523931

IUPAC7-methyl-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione
SMILESCN1CCc2c([nH]c(=O)[nH]c2=O)C1
InChIInChI=1S/C8H11N3O2/c1-11-3-2-5-6(4-11)9-8(13)10-7(5)12/h2-4H2,1H3,(H2,9,10,12,13)
InChIKeyWFHFFBUMLYUHRV-UHFFFAOYSA-N
MW181.19 g/mol
LogP-0.95
Rot. Bonds

About 7-methyl-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione

7-methyl-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione (PubChem CID 58523931) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 7-methyl-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name7-methyl-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione
PubChem CID58523931
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name7-methyl-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione
SMILESCN1CCc2c([nH]c(=O)[nH]c2=O)C1
InChIInChI=1S/C8H11N3O2/c1-11-3-2-5-6(4-11)9-8(13)10-7(5)12/h2-4H2,1H3,(H2,9,10,12,13)
InChIKeyWFHFFBUMLYUHRV-UHFFFAOYSA-N
XLogP-0.95
TPSA68.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 5-0.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione?
The IUPAC name of 7-methyl-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione (CID 58523931) is 7-methyl-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione.
What is the SMILES notation for 7-methyl-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione?
The canonical SMILES for 7-methyl-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione is CN1CCc2c([nH]c(=O)[nH]c2=O)C1.
What is the InChIKey of 7-methyl-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione?
The InChIKey is WFHFFBUMLYUHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-11-3-2-5-6(4-11)9-8(13)10-7(5)12/h2-4H2,1H3,(H2,9,10,12,13).
What are the key properties of 7-methyl-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione?
7-methyl-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione has a molecular weight of 181.19 g/mol, XLogP of -0.95, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione is sourced from PubChem (CID 58523931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).