4-chloro-N-(4-pyridin-2-ylpyrimidin-2-yl)-1H-indol-6-amine

C17H12ClN5 — CID 71233780

IUPAC4-chloro-N-(4-pyridin-2-ylpyrimidin-2-yl)-1H-indol-6-amine
SMILESClc1cc(Nc2nccc(-c3ccccn3)n2)cc2[nH]ccc12
InChIInChI=1S/C17H12ClN5/c18-13-9-11(10-16-12(13)4-7-20-16)22-17-21-8-5-15(23-17)14-3-1-2-6-19-14/h1-10,20H,(H,21,22,23)
InChIKeyZRVUOKCIHCFRAQ-UHFFFAOYSA-N
MW321.77 g/mol
LogP4.42
Rot. Bonds3

About 4-chloro-N-(4-pyridin-2-ylpyrimidin-2-yl)-1H-indol-6-amine

4-chloro-N-(4-pyridin-2-ylpyrimidin-2-yl)-1H-indol-6-amine (PubChem CID 71233780) has the molecular formula C17H12ClN5 and a molecular weight of 321.77 g/mol. Its IUPAC name is 4-chloro-N-(4-pyridin-2-ylpyrimidin-2-yl)-1H-indol-6-amine.

Molecular Properties

Compound Name4-chloro-N-(4-pyridin-2-ylpyrimidin-2-yl)-1H-indol-6-amine
PubChem CID71233780
Molecular FormulaC17H12ClN5
Molecular Weight321.77 g/mol
Exact Mass321.08
IUPAC Name4-chloro-N-(4-pyridin-2-ylpyrimidin-2-yl)-1H-indol-6-amine
SMILESClc1cc(Nc2nccc(-c3ccccn3)n2)cc2[nH]ccc12
InChIInChI=1S/C17H12ClN5/c18-13-9-11(10-16-12(13)4-7-20-16)22-17-21-8-5-15(23-17)14-3-1-2-6-19-14/h1-10,20H,(H,21,22,23)
InChIKeyZRVUOKCIHCFRAQ-UHFFFAOYSA-N
XLogP4.42
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.77
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-pyridin-2-ylpyrimidin-2-yl)-1H-indol-6-amine?
The IUPAC name of 4-chloro-N-(4-pyridin-2-ylpyrimidin-2-yl)-1H-indol-6-amine (CID 71233780) is 4-chloro-N-(4-pyridin-2-ylpyrimidin-2-yl)-1H-indol-6-amine.
What is the SMILES notation for 4-chloro-N-(4-pyridin-2-ylpyrimidin-2-yl)-1H-indol-6-amine?
The canonical SMILES for 4-chloro-N-(4-pyridin-2-ylpyrimidin-2-yl)-1H-indol-6-amine is Clc1cc(Nc2nccc(-c3ccccn3)n2)cc2[nH]ccc12.
What is the InChIKey of 4-chloro-N-(4-pyridin-2-ylpyrimidin-2-yl)-1H-indol-6-amine?
The InChIKey is ZRVUOKCIHCFRAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN5/c18-13-9-11(10-16-12(13)4-7-20-16)22-17-21-8-5-15(23-17)14-3-1-2-6-19-14/h1-10,20H,(H,21,22,23).
What are the key properties of 4-chloro-N-(4-pyridin-2-ylpyrimidin-2-yl)-1H-indol-6-amine?
4-chloro-N-(4-pyridin-2-ylpyrimidin-2-yl)-1H-indol-6-amine has a molecular weight of 321.77 g/mol, XLogP of 4.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-pyridin-2-ylpyrimidin-2-yl)-1H-indol-6-amine is sourced from PubChem (CID 71233780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).