N-[2-(7-chloroquinolin-8-yl)ethyl]pyrimidin-4-amine

C15H13ClN4 — CID 175777596

IUPACN-[2-(7-chloroquinolin-8-yl)ethyl]pyrimidin-4-amine
SMILESClc1ccc2cccnc2c1CCNc1ccncn1
InChIInChI=1S/C15H13ClN4/c16-13-4-3-11-2-1-7-19-15(11)12(13)5-9-18-14-6-8-17-10-20-14/h1-4,6-8,10H,5,9H2,(H,17,18,20)
InChIKeyLHNCYLZXOMEWNG-UHFFFAOYSA-N
MW284.75 g/mol
LogP3.33
Rot. Bonds4

About N-[2-(7-chloroquinolin-8-yl)ethyl]pyrimidin-4-amine

N-[2-(7-chloroquinolin-8-yl)ethyl]pyrimidin-4-amine (PubChem CID 175777596) has the molecular formula C15H13ClN4 and a molecular weight of 284.75 g/mol. Its IUPAC name is N-[2-(7-chloroquinolin-8-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(7-chloroquinolin-8-yl)ethyl]pyrimidin-4-amine
PubChem CID175777596
Molecular FormulaC15H13ClN4
Molecular Weight284.75 g/mol
Exact Mass284.08
IUPAC NameN-[2-(7-chloroquinolin-8-yl)ethyl]pyrimidin-4-amine
SMILESClc1ccc2cccnc2c1CCNc1ccncn1
InChIInChI=1S/C15H13ClN4/c16-13-4-3-11-2-1-7-19-15(11)12(13)5-9-18-14-6-8-17-10-20-14/h1-4,6-8,10H,5,9H2,(H,17,18,20)
InChIKeyLHNCYLZXOMEWNG-UHFFFAOYSA-N
XLogP3.33
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-[2-(7-chloroquinolin-8-yl)ethyl]pyrimidin-4-amine
CID 135380861
6-chloro-N-(2-quinolin-8-ylethyl)pyrazin-2-amine
CID 47151476
6-chloro-N-(2-quinolin-8-ylethyl)pyridazin-3-amine
CID 112724616
N-[2-[2-(trifluoromethyl)phenyl]ethyl]pyrimidin-4-amine
CID 72896596
7-chloro-8-(2-methylpropylsulfanylmethyl)quinoline
CID 55754155
N-[2-(2-methyl-1-benzothiophen-3-yl)ethyl]pyrimidin-4-amine
CID 175760045
N-[(2-chlorophenyl)methyl]pyrimidin-4-amine
CID 61253357
N-methyl-N'-pyrimidin-4-ylethane-1,2-diamine
CID 62658944
N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine
CID 63831910
7-chloroquinoline-8-thiol
CID 86200292
N-[2-(2-chloro-5-fluoro-7-methyl-1-benzothiophen-3-yl)ethyl]pyrimidin-4-amine
CID 175760020
8-(chloromethyl)-7-methylquinoline
CID 165444274

Frequently Asked Questions

What is the IUPAC name of N-[2-(7-chloroquinolin-8-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of N-[2-(7-chloroquinolin-8-yl)ethyl]pyrimidin-4-amine (CID 175777596) is N-[2-(7-chloroquinolin-8-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for N-[2-(7-chloroquinolin-8-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for N-[2-(7-chloroquinolin-8-yl)ethyl]pyrimidin-4-amine is Clc1ccc2cccnc2c1CCNc1ccncn1.
What is the InChIKey of N-[2-(7-chloroquinolin-8-yl)ethyl]pyrimidin-4-amine?
The InChIKey is LHNCYLZXOMEWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4/c16-13-4-3-11-2-1-7-19-15(11)12(13)5-9-18-14-6-8-17-10-20-14/h1-4,6-8,10H,5,9H2,(H,17,18,20).
What are the key properties of N-[2-(7-chloroquinolin-8-yl)ethyl]pyrimidin-4-amine?
N-[2-(7-chloroquinolin-8-yl)ethyl]pyrimidin-4-amine has a molecular weight of 284.75 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-chloroquinolin-8-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 175777596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).