N-(2-chlorophenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine

C17H12ClN5 — CID 11438633

IUPACN-(2-chlorophenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine
SMILESClc1ccccc1Nc1ncc2ccn(-c3ccccn3)c2n1
InChIInChI=1S/C17H12ClN5/c18-13-5-1-2-6-14(13)21-17-20-11-12-8-10-23(16(12)22-17)15-7-3-4-9-19-15/h1-11H,(H,20,21,22)
InChIKeySUVZWWYGVDZFFR-UHFFFAOYSA-N
MW321.77 g/mol
LogP4.21
Rot. Bonds3

About N-(2-chlorophenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine

N-(2-chlorophenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 11438633) has the molecular formula C17H12ClN5 and a molecular weight of 321.77 g/mol. Its IUPAC name is N-(2-chlorophenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-chlorophenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID11438633
Molecular FormulaC17H12ClN5
Molecular Weight321.77 g/mol
Exact Mass321.08
IUPAC NameN-(2-chlorophenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine
SMILESClc1ccccc1Nc1ncc2ccn(-c3ccccn3)c2n1
InChIInChI=1S/C17H12ClN5/c18-13-5-1-2-6-14(13)21-17-20-11-12-8-10-23(16(12)22-17)15-7-3-4-9-19-15/h1-11H,(H,20,21,22)
InChIKeySUVZWWYGVDZFFR-UHFFFAOYSA-N
XLogP4.21
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.77
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine?
The IUPAC name of N-(2-chlorophenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine (CID 11438633) is N-(2-chlorophenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for N-(2-chlorophenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for N-(2-chlorophenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine is Clc1ccccc1Nc1ncc2ccn(-c3ccccn3)c2n1.
What is the InChIKey of N-(2-chlorophenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine?
The InChIKey is SUVZWWYGVDZFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN5/c18-13-5-1-2-6-14(13)21-17-20-11-12-8-10-23(16(12)22-17)15-7-3-4-9-19-15/h1-11H,(H,20,21,22).
What are the key properties of N-(2-chlorophenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine?
N-(2-chlorophenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 321.77 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 11438633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).