4-chloro-7-cyclopropylpyrrolo[2,3-d]pyrimidine

C9H8ClN3 — CID 118274525

IUPAC4-chloro-7-cyclopropylpyrrolo[2,3-d]pyrimidine
SMILESClc1ncnc2c1ccn2C1CC1
InChIInChI=1S/C9H8ClN3/c10-8-7-3-4-13(6-1-2-6)9(7)12-5-11-8/h3-6H,1-2H2
InChIKeyHGQBIDALAFSSLD-UHFFFAOYSA-N
MW193.64 g/mol
LogP2.42
Rot. Bonds1

About 4-chloro-7-cyclopropylpyrrolo[2,3-d]pyrimidine

4-chloro-7-cyclopropylpyrrolo[2,3-d]pyrimidine (PubChem CID 118274525) has the molecular formula C9H8ClN3 and a molecular weight of 193.64 g/mol. Its IUPAC name is 4-chloro-7-cyclopropylpyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-7-cyclopropylpyrrolo[2,3-d]pyrimidine
PubChem CID118274525
Molecular FormulaC9H8ClN3
Molecular Weight193.64 g/mol
Exact Mass193.04
IUPAC Name4-chloro-7-cyclopropylpyrrolo[2,3-d]pyrimidine
SMILESClc1ncnc2c1ccn2C1CC1
InChIInChI=1S/C9H8ClN3/c10-8-7-3-4-13(6-1-2-6)9(7)12-5-11-8/h3-6H,1-2H2
InChIKeyHGQBIDALAFSSLD-UHFFFAOYSA-N
XLogP2.42
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.64
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-cyclopropylpyrrolo[2,3-d]pyrimidine?
The IUPAC name of 4-chloro-7-cyclopropylpyrrolo[2,3-d]pyrimidine (CID 118274525) is 4-chloro-7-cyclopropylpyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-7-cyclopropylpyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 4-chloro-7-cyclopropylpyrrolo[2,3-d]pyrimidine is Clc1ncnc2c1ccn2C1CC1.
What is the InChIKey of 4-chloro-7-cyclopropylpyrrolo[2,3-d]pyrimidine?
The InChIKey is HGQBIDALAFSSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3/c10-8-7-3-4-13(6-1-2-6)9(7)12-5-11-8/h3-6H,1-2H2.
What are the key properties of 4-chloro-7-cyclopropylpyrrolo[2,3-d]pyrimidine?
4-chloro-7-cyclopropylpyrrolo[2,3-d]pyrimidine has a molecular weight of 193.64 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 4-chloro-7-cyclopropylpyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 118274525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).