4-methyl-5H-pyrido[3,4-d]pyrimidine-6,8-dione

C8H7N3O2 — CID 171611550

IUPAC4-methyl-5H-pyrido[3,4-d]pyrimidine-6,8-dione
SMILESCc1ncnc2c1CC(=O)NC2=O
InChIInChI=1S/C8H7N3O2/c1-4-5-2-6(12)11-8(13)7(5)10-3-9-4/h3H,2H2,1H3,(H,11,12,13)
InChIKeySFSXWSZGSBBDOL-UHFFFAOYSA-N
MW177.16 g/mol
LogP-0.40
Rot. Bonds

About 4-methyl-5H-pyrido[3,4-d]pyrimidine-6,8-dione

4-methyl-5H-pyrido[3,4-d]pyrimidine-6,8-dione (PubChem CID 171611550) has the molecular formula C8H7N3O2 and a molecular weight of 177.16 g/mol. Its IUPAC name is 4-methyl-5H-pyrido[3,4-d]pyrimidine-6,8-dione.

Molecular Properties

Compound Name4-methyl-5H-pyrido[3,4-d]pyrimidine-6,8-dione
PubChem CID171611550
Molecular FormulaC8H7N3O2
Molecular Weight177.16 g/mol
Exact Mass177.05
IUPAC Name4-methyl-5H-pyrido[3,4-d]pyrimidine-6,8-dione
SMILESCc1ncnc2c1CC(=O)NC2=O
InChIInChI=1S/C8H7N3O2/c1-4-5-2-6(12)11-8(13)7(5)10-3-9-4/h3H,2H2,1H3,(H,11,12,13)
InChIKeySFSXWSZGSBBDOL-UHFFFAOYSA-N
XLogP-0.40
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

4-propan-2-yl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one
CID 122696588
4-ethyl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one
CID 126618268
5,6,7-triethoxy-4H-isoquinoline-1,3-dione
CID 82060304
4,5-dibromo-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
CID 74787751
6,7-dimethyl-1,3-dihydropyrrolo[3,2-b]pyridin-2-one
CID 123135461
6-(5-amino-6-methylpyrimidin-4-yl)-3,4-dihydro-1H-quinolin-2-one
CID 82481969
ethane;6-methyl-1,3-dihydropyrrolo[3,2-b]pyridin-2-one
CID 171527396
1,3-dihydropyrrolo[2,3-c]quinolin-2-one
CID 178065999
6-(5-amino-6-methylpyrimidin-4-yl)-4H-1,4-benzothiazin-3-one
CID 96668447
4,5-dimethyl-6-pyrimidin-2-ylpyrimidine
CID 91302960
ethane;3-methyl-2,4,6,7-tetrahydropyrazolo[3,4-c]pyridin-5-one
CID 144954980
7,8-dihydro-1H-imidazo[4,5-e][1,3]diazepine-4,6-dione
CID 70342938

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5H-pyrido[3,4-d]pyrimidine-6,8-dione?
The IUPAC name of 4-methyl-5H-pyrido[3,4-d]pyrimidine-6,8-dione (CID 171611550) is 4-methyl-5H-pyrido[3,4-d]pyrimidine-6,8-dione.
What is the SMILES notation for 4-methyl-5H-pyrido[3,4-d]pyrimidine-6,8-dione?
The canonical SMILES for 4-methyl-5H-pyrido[3,4-d]pyrimidine-6,8-dione is Cc1ncnc2c1CC(=O)NC2=O.
What is the InChIKey of 4-methyl-5H-pyrido[3,4-d]pyrimidine-6,8-dione?
The InChIKey is SFSXWSZGSBBDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2/c1-4-5-2-6(12)11-8(13)7(5)10-3-9-4/h3H,2H2,1H3,(H,11,12,13).
What are the key properties of 4-methyl-5H-pyrido[3,4-d]pyrimidine-6,8-dione?
4-methyl-5H-pyrido[3,4-d]pyrimidine-6,8-dione has a molecular weight of 177.16 g/mol, XLogP of -0.40, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5H-pyrido[3,4-d]pyrimidine-6,8-dione is sourced from PubChem (CID 171611550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).