2-chloro-5-methyl-6-propylidene-7H-pyrrolo[3,2-d]pyrimidine

C10H12ClN3 — CID 166923933

IUPAC2-chloro-5-methyl-6-propylidene-7H-pyrrolo[3,2-d]pyrimidine
SMILESCCC=C1Cc2nc(Cl)ncc2N1C
InChIInChI=1S/C10H12ClN3/c1-3-4-7-5-8-9(14(7)2)6-12-10(11)13-8/h4,6H,3,5H2,1-2H3
InChIKeyNVQUCAZOCFPHTM-UHFFFAOYSA-N
MW209.68 g/mol
LogP2.42
Rot. Bonds1

About 2-chloro-5-methyl-6-propylidene-7H-pyrrolo[3,2-d]pyrimidine

2-chloro-5-methyl-6-propylidene-7H-pyrrolo[3,2-d]pyrimidine (PubChem CID 166923933) has the molecular formula C10H12ClN3 and a molecular weight of 209.68 g/mol. Its IUPAC name is 2-chloro-5-methyl-6-propylidene-7H-pyrrolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-chloro-5-methyl-6-propylidene-7H-pyrrolo[3,2-d]pyrimidine
PubChem CID166923933
Molecular FormulaC10H12ClN3
Molecular Weight209.68 g/mol
Exact Mass209.07
IUPAC Name2-chloro-5-methyl-6-propylidene-7H-pyrrolo[3,2-d]pyrimidine
SMILESCCC=C1Cc2nc(Cl)ncc2N1C
InChIInChI=1S/C10H12ClN3/c1-3-4-7-5-8-9(14(7)2)6-12-10(11)13-8/h4,6H,3,5H2,1-2H3
InChIKeyNVQUCAZOCFPHTM-UHFFFAOYSA-N
XLogP2.42
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.68
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-chloro-5-methyl-6-propylidene-7H-pyrrolo[3,2-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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methyl-6-propylidene-7H-pyrrolo[3,2-d]pyrimidine?
The IUPAC name of 2-chloro-5-methyl-6-propylidene-7H-pyrrolo[3,2-d]pyrimidine (CID 166923933) is 2-chloro-5-methyl-6-propylidene-7H-pyrrolo[3,2-d]pyrimidine.
What is the SMILES notation for 2-chloro-5-methyl-6-propylidene-7H-pyrrolo[3,2-d]pyrimidine?
The canonical SMILES for 2-chloro-5-methyl-6-propylidene-7H-pyrrolo[3,2-d]pyrimidine is CCC=C1Cc2nc(Cl)ncc2N1C.
What is the InChIKey of 2-chloro-5-methyl-6-propylidene-7H-pyrrolo[3,2-d]pyrimidine?
The InChIKey is NVQUCAZOCFPHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3/c1-3-4-7-5-8-9(14(7)2)6-12-10(11)13-8/h4,6H,3,5H2,1-2H3.
What are the key properties of 2-chloro-5-methyl-6-propylidene-7H-pyrrolo[3,2-d]pyrimidine?
2-chloro-5-methyl-6-propylidene-7H-pyrrolo[3,2-d]pyrimidine has a molecular weight of 209.68 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methyl-6-propylidene-7H-pyrrolo[3,2-d]pyrimidine is sourced from PubChem (CID 166923933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).