6-chloro-N-(2-chloropyrimidin-5-yl)isoquinolin-1-amine

C13H8Cl2N4 — CID 171404424

IUPAC6-chloro-N-(2-chloropyrimidin-5-yl)isoquinolin-1-amine
SMILESClc1ccc2c(Nc3cnc(Cl)nc3)nccc2c1
InChIInChI=1S/C13H8Cl2N4/c14-9-1-2-11-8(5-9)3-4-16-12(11)19-10-6-17-13(15)18-7-10/h1-7H,(H,16,19)
InChIKeyAYCMWUHRXZKCFH-UHFFFAOYSA-N
MW291.14 g/mol
LogP4.08
Rot. Bonds2

About 6-chloro-N-(2-chloropyrimidin-5-yl)isoquinolin-1-amine

6-chloro-N-(2-chloropyrimidin-5-yl)isoquinolin-1-amine (PubChem CID 171404424) has the molecular formula C13H8Cl2N4 and a molecular weight of 291.14 g/mol. Its IUPAC name is 6-chloro-N-(2-chloropyrimidin-5-yl)isoquinolin-1-amine.

Molecular Properties

Compound Name6-chloro-N-(2-chloropyrimidin-5-yl)isoquinolin-1-amine
PubChem CID171404424
Molecular FormulaC13H8Cl2N4
Molecular Weight291.14 g/mol
Exact Mass290.01
IUPAC Name6-chloro-N-(2-chloropyrimidin-5-yl)isoquinolin-1-amine
SMILESClc1ccc2c(Nc3cnc(Cl)nc3)nccc2c1
InChIInChI=1S/C13H8Cl2N4/c14-9-1-2-11-8(5-9)3-4-16-12(11)19-10-6-17-13(15)18-7-10/h1-7H,(H,16,19)
InChIKeyAYCMWUHRXZKCFH-UHFFFAOYSA-N
XLogP4.08
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.14
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[(2-chloropyrimidin-5-yl)amino]isoquinolin-6-yl] hypofluorite
CID 170450675
N-(6-chloro-3-pyridinyl)-6-methylisoquinolin-1-amine
CID 170435794
N-(2-chloropyrimidin-5-yl)-6-[dideuterio-(1-methylpyrazol-4-yl)methoxy]isoquinolin-1-amine
CID 171404425
[1-[(6-chloro-3-pyridinyl)amino]isoquinolin-6-yl] hypofluorite
CID 170450488
2-[(6-chloroisoquinolin-1-yl)amino]acetic acid
CID 82571044
N-(6-chloro-3-pyridinyl)-6-(1H-pyrazol-5-yl)isoquinolin-1-amine
CID 170450423
N-(6-chloro-3-pyridinyl)-6-phenoxyisoquinolin-1-amine
CID 170435766
6-(2-bromoethoxy)-N-(6-chloro-3-pyridinyl)isoquinolin-1-amine
CID 170436032
N-(6-chloro-3-pyridinyl)-6-(2-methoxyethoxy)isoquinolin-1-amine
CID 170435914
N-(6-chloro-3-pyridinyl)-6-[[(1S,2R)-2-fluorocyclopropyl]methoxy]isoquinolin-1-amine
CID 170435958
6-chloro-1-methylsulfanylisoquinoline
CID 119093013
5-[(7-chloroisoquinolin-1-yl)amino]-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 135186660

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-chloropyrimidin-5-yl)isoquinolin-1-amine?
The IUPAC name of 6-chloro-N-(2-chloropyrimidin-5-yl)isoquinolin-1-amine (CID 171404424) is 6-chloro-N-(2-chloropyrimidin-5-yl)isoquinolin-1-amine.
What is the SMILES notation for 6-chloro-N-(2-chloropyrimidin-5-yl)isoquinolin-1-amine?
The canonical SMILES for 6-chloro-N-(2-chloropyrimidin-5-yl)isoquinolin-1-amine is Clc1ccc2c(Nc3cnc(Cl)nc3)nccc2c1.
What is the InChIKey of 6-chloro-N-(2-chloropyrimidin-5-yl)isoquinolin-1-amine?
The InChIKey is AYCMWUHRXZKCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2N4/c14-9-1-2-11-8(5-9)3-4-16-12(11)19-10-6-17-13(15)18-7-10/h1-7H,(H,16,19).
What are the key properties of 6-chloro-N-(2-chloropyrimidin-5-yl)isoquinolin-1-amine?
6-chloro-N-(2-chloropyrimidin-5-yl)isoquinolin-1-amine has a molecular weight of 291.14 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-chloropyrimidin-5-yl)isoquinolin-1-amine is sourced from PubChem (CID 171404424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).