N-(6-chloropyrimidin-4-yl)indol-1-amine

C12H9ClN4 — CID 15158243

IUPACN-(6-chloropyrimidin-4-yl)indol-1-amine
SMILESClc1cc(Nn2ccc3ccccc32)ncn1
InChIInChI=1S/C12H9ClN4/c13-11-7-12(15-8-14-11)16-17-6-5-9-3-1-2-4-10(9)17/h1-8H,(H,14,15,16)
InChIKeyDKXJBCRMQDIEQC-UHFFFAOYSA-N
MW244.69 g/mol
LogP2.96
Rot. Bonds2

About N-(6-chloropyrimidin-4-yl)indol-1-amine

N-(6-chloropyrimidin-4-yl)indol-1-amine (PubChem CID 15158243) has the molecular formula C12H9ClN4 and a molecular weight of 244.69 g/mol. Its IUPAC name is N-(6-chloropyrimidin-4-yl)indol-1-amine.

Molecular Properties

Compound NameN-(6-chloropyrimidin-4-yl)indol-1-amine
PubChem CID15158243
Molecular FormulaC12H9ClN4
Molecular Weight244.69 g/mol
Exact Mass244.05
IUPAC NameN-(6-chloropyrimidin-4-yl)indol-1-amine
SMILESClc1cc(Nn2ccc3ccccc32)ncn1
InChIInChI=1S/C12H9ClN4/c13-11-7-12(15-8-14-11)16-17-6-5-9-3-1-2-4-10(9)17/h1-8H,(H,14,15,16)
InChIKeyDKXJBCRMQDIEQC-UHFFFAOYSA-N
XLogP2.96
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.69
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6-chloropyrimidin-4-yl)indol-1-amine?
The IUPAC name of N-(6-chloropyrimidin-4-yl)indol-1-amine (CID 15158243) is N-(6-chloropyrimidin-4-yl)indol-1-amine.
What is the SMILES notation for N-(6-chloropyrimidin-4-yl)indol-1-amine?
The canonical SMILES for N-(6-chloropyrimidin-4-yl)indol-1-amine is Clc1cc(Nn2ccc3ccccc32)ncn1.
What is the InChIKey of N-(6-chloropyrimidin-4-yl)indol-1-amine?
The InChIKey is DKXJBCRMQDIEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN4/c13-11-7-12(15-8-14-11)16-17-6-5-9-3-1-2-4-10(9)17/h1-8H,(H,14,15,16).
What are the key properties of N-(6-chloropyrimidin-4-yl)indol-1-amine?
N-(6-chloropyrimidin-4-yl)indol-1-amine has a molecular weight of 244.69 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloropyrimidin-4-yl)indol-1-amine is sourced from PubChem (CID 15158243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).