4,6-dihydropyrrolo[1,2-a]pyrimidine

C7H8N2 — CID 118369229

IUPAC4,6-dihydropyrrolo[1,2-a]pyrimidine
SMILESC1=CN=C2C=CCN2C1
InChIInChI=1S/C7H8N2/c1-3-7-8-4-2-6-9(7)5-1/h1-4H,5-6H2
InChIKeyJTJXXTRMTCAILW-UHFFFAOYSA-N
MW120.15 g/mol
LogP0.78
Rot. Bonds

About 4,6-dihydropyrrolo[1,2-a]pyrimidine

4,6-dihydropyrrolo[1,2-a]pyrimidine (PubChem CID 118369229) has the molecular formula C7H8N2 and a molecular weight of 120.15 g/mol. Its IUPAC name is 4,6-dihydropyrrolo[1,2-a]pyrimidine.

Molecular Properties

Compound Name4,6-dihydropyrrolo[1,2-a]pyrimidine
PubChem CID118369229
Molecular FormulaC7H8N2
Molecular Weight120.15 g/mol
Exact Mass120.07
IUPAC Name4,6-dihydropyrrolo[1,2-a]pyrimidine
SMILESC1=CN=C2C=CCN2C1
InChIInChI=1S/C7H8N2/c1-3-7-8-4-2-6-9(7)5-1/h1-4H,5-6H2
InChIKeyJTJXXTRMTCAILW-UHFFFAOYSA-N
XLogP0.78
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.15
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4,6-dihydropyrrolo[1,2-a]pyrimidine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,6-dihydropyrrolo[1,2-a]pyrimidine?
The IUPAC name of 4,6-dihydropyrrolo[1,2-a]pyrimidine (CID 118369229) is 4,6-dihydropyrrolo[1,2-a]pyrimidine.
What is the SMILES notation for 4,6-dihydropyrrolo[1,2-a]pyrimidine?
The canonical SMILES for 4,6-dihydropyrrolo[1,2-a]pyrimidine is C1=CN=C2C=CCN2C1.
What is the InChIKey of 4,6-dihydropyrrolo[1,2-a]pyrimidine?
The InChIKey is JTJXXTRMTCAILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2/c1-3-7-8-4-2-6-9(7)5-1/h1-4H,5-6H2.
What are the key properties of 4,6-dihydropyrrolo[1,2-a]pyrimidine?
4,6-dihydropyrrolo[1,2-a]pyrimidine has a molecular weight of 120.15 g/mol, XLogP of 0.78, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dihydropyrrolo[1,2-a]pyrimidine is sourced from PubChem (CID 118369229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).