N-(2-chloropyrimidin-4-yl)-1H-indol-5-amine

C12H9ClN4 — CID 88557543

IUPACN-(2-chloropyrimidin-4-yl)-1H-indol-5-amine
SMILESClc1nccc(Nc2ccc3[nH]ccc3c2)n1
InChIInChI=1S/C12H9ClN4/c13-12-15-6-4-11(17-12)16-9-1-2-10-8(7-9)3-5-14-10/h1-7,14H,(H,15,16,17)
InChIKeySKJRTHCVLCNNKM-UHFFFAOYSA-N
MW244.69 g/mol
LogP3.35
Rot. Bonds2

About N-(2-chloropyrimidin-4-yl)-1H-indol-5-amine

N-(2-chloropyrimidin-4-yl)-1H-indol-5-amine (PubChem CID 88557543) has the molecular formula C12H9ClN4 and a molecular weight of 244.69 g/mol. Its IUPAC name is N-(2-chloropyrimidin-4-yl)-1H-indol-5-amine.

Molecular Properties

Compound NameN-(2-chloropyrimidin-4-yl)-1H-indol-5-amine
PubChem CID88557543
Molecular FormulaC12H9ClN4
Molecular Weight244.69 g/mol
Exact Mass244.05
IUPAC NameN-(2-chloropyrimidin-4-yl)-1H-indol-5-amine
SMILESClc1nccc(Nc2ccc3[nH]ccc3c2)n1
InChIInChI=1S/C12H9ClN4/c13-12-15-6-4-11(17-12)16-9-1-2-10-8(7-9)3-5-14-10/h1-7,14H,(H,15,16,17)
InChIKeySKJRTHCVLCNNKM-UHFFFAOYSA-N
XLogP3.35
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.69
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloropyrimidin-4-yl)-1H-indol-5-amine?
The IUPAC name of N-(2-chloropyrimidin-4-yl)-1H-indol-5-amine (CID 88557543) is N-(2-chloropyrimidin-4-yl)-1H-indol-5-amine.
What is the SMILES notation for N-(2-chloropyrimidin-4-yl)-1H-indol-5-amine?
The canonical SMILES for N-(2-chloropyrimidin-4-yl)-1H-indol-5-amine is Clc1nccc(Nc2ccc3[nH]ccc3c2)n1.
What is the InChIKey of N-(2-chloropyrimidin-4-yl)-1H-indol-5-amine?
The InChIKey is SKJRTHCVLCNNKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN4/c13-12-15-6-4-11(17-12)16-9-1-2-10-8(7-9)3-5-14-10/h1-7,14H,(H,15,16,17).
What are the key properties of N-(2-chloropyrimidin-4-yl)-1H-indol-5-amine?
N-(2-chloropyrimidin-4-yl)-1H-indol-5-amine has a molecular weight of 244.69 g/mol, XLogP of 3.35, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloropyrimidin-4-yl)-1H-indol-5-amine is sourced from PubChem (CID 88557543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).