3H-dioxolo[4,3-d]pyrimidine

C5H4N2O2 — CID 87084704

IUPAC3H-dioxolo[4,3-d]pyrimidine
SMILESc1ncc2c(n1)COO2
InChIInChI=1S/C5H4N2O2/c1-5-4(2-8-9-5)7-3-6-1/h1,3H,2H2
InChIKeyRGLUYOHPCGXAGN-UHFFFAOYSA-N
MW124.10 g/mol
LogP0.30
Rot. Bonds

About 3H-dioxolo[4,3-d]pyrimidine

3H-dioxolo[4,3-d]pyrimidine (PubChem CID 87084704) has the molecular formula C5H4N2O2 and a molecular weight of 124.10 g/mol. Its IUPAC name is 3H-dioxolo[4,3-d]pyrimidine.

Molecular Properties

Compound Name3H-dioxolo[4,3-d]pyrimidine
PubChem CID87084704
Molecular FormulaC5H4N2O2
Molecular Weight124.10 g/mol
Exact Mass124.03
IUPAC Name3H-dioxolo[4,3-d]pyrimidine
SMILESc1ncc2c(n1)COO2
InChIInChI=1S/C5H4N2O2/c1-5-4(2-8-9-5)7-3-6-1/h1,3H,2H2
InChIKeyRGLUYOHPCGXAGN-UHFFFAOYSA-N
XLogP0.30
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.10
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3H-dioxolo[4,3-d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-4H-[1,3,2]dioxaphosphinino[5,4-d]pyrimidine 2-oxide
CID 166551777
6-iodo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 126687707
spiro[7H-furo[3,2-d]pyrimidine-6,4'-piperidine]
CID 163289339
6H-pyrano[3,2-d]pyrimidine
CID 66624036
5,7-dihydrocyclopenta[d]pyrimidin-6-one
CID 158368884
ethane;5-methylidene-7,8-dihydro-6H-quinazoline
CID 143340702
5,8,9,10-tetrahydropyrimido[4,5-d]azocine
CID 154397752
6-hydroxy-5,7-dihydropyrrolo[3,4-d]pyrimidine
CID 175171276
N,N-bis(1,3,5-triazin-2-yl)-1,3,5-triazin-2-amine
CID 101336789
5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride
CID 22707087
6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide
CID 91522563
8H-pyrido[4,3-d]pyrimidin-7-one
CID 67528187

Frequently Asked Questions

What is the IUPAC name of 3H-dioxolo[4,3-d]pyrimidine?
The IUPAC name of 3H-dioxolo[4,3-d]pyrimidine (CID 87084704) is 3H-dioxolo[4,3-d]pyrimidine.
What is the SMILES notation for 3H-dioxolo[4,3-d]pyrimidine?
The canonical SMILES for 3H-dioxolo[4,3-d]pyrimidine is c1ncc2c(n1)COO2.
What is the InChIKey of 3H-dioxolo[4,3-d]pyrimidine?
The InChIKey is RGLUYOHPCGXAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N2O2/c1-5-4(2-8-9-5)7-3-6-1/h1,3H,2H2.
What are the key properties of 3H-dioxolo[4,3-d]pyrimidine?
3H-dioxolo[4,3-d]pyrimidine has a molecular weight of 124.10 g/mol, XLogP of 0.30, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-dioxolo[4,3-d]pyrimidine is sourced from PubChem (CID 87084704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).