1H-pyrido[3,2-d]pyrimidine-2,4-dione

C7H5N3O2 — CID 595909

IUPAC1H-pyrido[3,2-d]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)c2ncccc2[nH]1
InChIInChI=1S/C7H5N3O2/c11-6-5-4(2-1-3-8-5)9-7(12)10-6/h1-3H,(H2,9,10,11,12)
InChIKeyBJLUORNGPCXNHM-UHFFFAOYSA-N
MW163.14 g/mol
LogP-0.39
Rot. Bonds

About 1H-pyrido[3,2-d]pyrimidine-2,4-dione

1H-pyrido[3,2-d]pyrimidine-2,4-dione (PubChem CID 595909) has the molecular formula C7H5N3O2 and a molecular weight of 163.14 g/mol. Its IUPAC name is 1H-pyrido[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1H-pyrido[3,2-d]pyrimidine-2,4-dione
PubChem CID595909
Molecular FormulaC7H5N3O2
Molecular Weight163.14 g/mol
Exact Mass163.04
IUPAC Name1H-pyrido[3,2-d]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)c2ncccc2[nH]1
InChIInChI=1S/C7H5N3O2/c11-6-5-4(2-1-3-8-5)9-7(12)10-6/h1-3H,(H2,9,10,11,12)
InChIKeyBJLUORNGPCXNHM-UHFFFAOYSA-N
XLogP-0.39
TPSA78.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.14
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,5-Naphthyridin-4-ol
CID 224584
3H,4H-pyrido(3,2-d)pyrimidin-4-one
CID 135703334
Diquat metabolite
CID 86209565
1H,2H,3H,4H-pyrido(3,4-d)pyrimidine-2,4-dione
CID 278397
N-[6-(butanoylamino)pyridin-3-yl]pyridine-2-carboxamide
CID 645135
N-[6-(propanoylamino)pyridin-3-yl]pyridine-2-carboxamide
CID 655604
4-(2-Pyridylcarbonyl)-1,3,4-trihydroquinoxalin-2-one
CID 2316008
2-(2-hydroxy-4-oxoquinazolin-3(4H)-yl)-N-(pyridin-3-yl)acetamide
CID 4906968
(2S)-2-(2,4-dioxo-1H-quinazolin-3-yl)-N-pyridin-3-ylpropanamide
CID 8027781
2499-96-9
CID 273240
2-Methylpyrido[3,2-d]pyrimidin-4(3H)-one
CID 135703359
3-Amino-pyridine-2-carboxylic acid amide
CID 13238725

Frequently Asked Questions

What is the IUPAC name of 1H-pyrido[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 1H-pyrido[3,2-d]pyrimidine-2,4-dione (CID 595909) is 1H-pyrido[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1H-pyrido[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 1H-pyrido[3,2-d]pyrimidine-2,4-dione is O=c1[nH]c(=O)c2ncccc2[nH]1.
What is the InChIKey of 1H-pyrido[3,2-d]pyrimidine-2,4-dione?
The InChIKey is BJLUORNGPCXNHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3O2/c11-6-5-4(2-1-3-8-5)9-7(12)10-6/h1-3H,(H2,9,10,11,12).
What are the key properties of 1H-pyrido[3,2-d]pyrimidine-2,4-dione?
1H-pyrido[3,2-d]pyrimidine-2,4-dione has a molecular weight of 163.14 g/mol, XLogP of -0.39, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrido[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 595909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).