4-chloro-7-[3-(2-methylprop-1-enyl)cyclopentyl]pyrrolo[2,3-d]pyrimidine

C15H18ClN3 — CID 138748237

IUPAC4-chloro-7-[3-(2-methylprop-1-enyl)cyclopentyl]pyrrolo[2,3-d]pyrimidine
SMILESCC(C)=CC1CCC(n2ccc3c(Cl)ncnc32)C1
InChIInChI=1S/C15H18ClN3/c1-10(2)7-11-3-4-12(8-11)19-6-5-13-14(16)17-9-18-15(13)19/h5-7,9,11-12H,3-4,8H2,1-2H3
InChIKeyPMJPQKHSELYADP-UHFFFAOYSA-N
MW275.78 g/mol
LogP4.39
Rot. Bonds2

About 4-chloro-7-[3-(2-methylprop-1-enyl)cyclopentyl]pyrrolo[2,3-d]pyrimidine

4-chloro-7-[3-(2-methylprop-1-enyl)cyclopentyl]pyrrolo[2,3-d]pyrimidine (PubChem CID 138748237) has the molecular formula C15H18ClN3 and a molecular weight of 275.78 g/mol. Its IUPAC name is 4-chloro-7-[3-(2-methylprop-1-enyl)cyclopentyl]pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-7-[3-(2-methylprop-1-enyl)cyclopentyl]pyrrolo[2,3-d]pyrimidine
PubChem CID138748237
Molecular FormulaC15H18ClN3
Molecular Weight275.78 g/mol
Exact Mass275.12
IUPAC Name4-chloro-7-[3-(2-methylprop-1-enyl)cyclopentyl]pyrrolo[2,3-d]pyrimidine
SMILESCC(C)=CC1CCC(n2ccc3c(Cl)ncnc32)C1
InChIInChI=1S/C15H18ClN3/c1-10(2)7-11-3-4-12(8-11)19-6-5-13-14(16)17-9-18-15(13)19/h5-7,9,11-12H,3-4,8H2,1-2H3
InChIKeyPMJPQKHSELYADP-UHFFFAOYSA-N
XLogP4.39
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-chloro-7-[3-(2-methylprop-1-enyl)cyclopentyl]pyrrolo[2,3-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

Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-[3-(2-methylprop-1-enyl)cyclopentyl]pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 4-chloro-7-[3-(2-methylprop-1-enyl)cyclopentyl]pyrrolo[2,3-d]pyrimidine (CID 138748237) is 4-chloro-7-[3-(2-methylprop-1-enyl)cyclopentyl]pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-7-[3-(2-methylprop-1-enyl)cyclopentyl]pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 4-chloro-7-[3-(2-methylprop-1-enyl)cyclopentyl]pyrrolo[2,3-d]pyrimidine is CC(C)=CC1CCC(n2ccc3c(Cl)ncnc32)C1.
What is the InChIKey of 4-chloro-7-[3-(2-methylprop-1-enyl)cyclopentyl]pyrrolo[2,3-d]pyrimidine?
The InChIKey is PMJPQKHSELYADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3/c1-10(2)7-11-3-4-12(8-11)19-6-5-13-14(16)17-9-18-15(13)19/h5-7,9,11-12H,3-4,8H2,1-2H3.
What are the key properties of 4-chloro-7-[3-(2-methylprop-1-enyl)cyclopentyl]pyrrolo[2,3-d]pyrimidine?
4-chloro-7-[3-(2-methylprop-1-enyl)cyclopentyl]pyrrolo[2,3-d]pyrimidine has a molecular weight of 275.78 g/mol, XLogP of 4.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-[3-(2-methylprop-1-enyl)cyclopentyl]pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 138748237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).