2-chloro-7-cyclopentyl-6-methylpyrrolo[2,3-d]pyrimidine

C12H14ClN3 — CID 84819779

IUPAC2-chloro-7-cyclopentyl-6-methylpyrrolo[2,3-d]pyrimidine
SMILESCc1cc2cnc(Cl)nc2n1C1CCCC1
InChIInChI=1S/C12H14ClN3/c1-8-6-9-7-14-12(13)15-11(9)16(8)10-4-2-3-5-10/h6-7,10H,2-5H2,1H3
InChIKeyCKJCCNNUHXLCJL-UHFFFAOYSA-N
MW235.72 g/mol
LogP3.51
Rot. Bonds1

About 2-chloro-7-cyclopentyl-6-methylpyrrolo[2,3-d]pyrimidine

2-chloro-7-cyclopentyl-6-methylpyrrolo[2,3-d]pyrimidine (PubChem CID 84819779) has the molecular formula C12H14ClN3 and a molecular weight of 235.72 g/mol. Its IUPAC name is 2-chloro-7-cyclopentyl-6-methylpyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-chloro-7-cyclopentyl-6-methylpyrrolo[2,3-d]pyrimidine
PubChem CID84819779
Molecular FormulaC12H14ClN3
Molecular Weight235.72 g/mol
Exact Mass235.09
IUPAC Name2-chloro-7-cyclopentyl-6-methylpyrrolo[2,3-d]pyrimidine
SMILESCc1cc2cnc(Cl)nc2n1C1CCCC1
InChIInChI=1S/C12H14ClN3/c1-8-6-9-7-14-12(13)15-11(9)16(8)10-4-2-3-5-10/h6-7,10H,2-5H2,1H3
InChIKeyCKJCCNNUHXLCJL-UHFFFAOYSA-N
XLogP3.51
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.72
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-cyclopentyl-6-methylpyrrolo[2,3-d]pyrimidine?
The IUPAC name of 2-chloro-7-cyclopentyl-6-methylpyrrolo[2,3-d]pyrimidine (CID 84819779) is 2-chloro-7-cyclopentyl-6-methylpyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 2-chloro-7-cyclopentyl-6-methylpyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 2-chloro-7-cyclopentyl-6-methylpyrrolo[2,3-d]pyrimidine is Cc1cc2cnc(Cl)nc2n1C1CCCC1.
What is the InChIKey of 2-chloro-7-cyclopentyl-6-methylpyrrolo[2,3-d]pyrimidine?
The InChIKey is CKJCCNNUHXLCJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3/c1-8-6-9-7-14-12(13)15-11(9)16(8)10-4-2-3-5-10/h6-7,10H,2-5H2,1H3.
What are the key properties of 2-chloro-7-cyclopentyl-6-methylpyrrolo[2,3-d]pyrimidine?
2-chloro-7-cyclopentyl-6-methylpyrrolo[2,3-d]pyrimidine has a molecular weight of 235.72 g/mol, XLogP of 3.51, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-cyclopentyl-6-methylpyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 84819779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).