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

C15H12Cl2N4 — CID 135380861

IUPAC6-chloro-N-[2-(7-chloroquinolin-8-yl)ethyl]pyrimidin-4-amine
SMILESClc1cc(NCCc2c(Cl)ccc3cccnc23)ncn1
InChIInChI=1S/C15H12Cl2N4/c16-12-4-3-10-2-1-6-19-15(10)11(12)5-7-18-14-8-13(17)20-9-21-14/h1-4,6,8-9H,5,7H2,(H,18,20,21)
InChIKeyUCRKXMPDJBAQDC-UHFFFAOYSA-N
MW319.20 g/mol
LogP3.99
Rot. Bonds4

About 6-chloro-N-[2-(7-chloroquinolin-8-yl)ethyl]pyrimidin-4-amine

6-chloro-N-[2-(7-chloroquinolin-8-yl)ethyl]pyrimidin-4-amine (PubChem CID 135380861) has the molecular formula C15H12Cl2N4 and a molecular weight of 319.20 g/mol. Its IUPAC name is 6-chloro-N-[2-(7-chloroquinolin-8-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[2-(7-chloroquinolin-8-yl)ethyl]pyrimidin-4-amine
PubChem CID135380861
Molecular FormulaC15H12Cl2N4
Molecular Weight319.20 g/mol
Exact Mass318.04
IUPAC Name6-chloro-N-[2-(7-chloroquinolin-8-yl)ethyl]pyrimidin-4-amine
SMILESClc1cc(NCCc2c(Cl)ccc3cccnc23)ncn1
InChIInChI=1S/C15H12Cl2N4/c16-12-4-3-10-2-1-6-19-15(10)11(12)5-7-18-14-8-13(17)20-9-21-14/h1-4,6,8-9H,5,7H2,(H,18,20,21)
InChIKeyUCRKXMPDJBAQDC-UHFFFAOYSA-N
XLogP3.99
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.20
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-(7-chloroquinolin-8-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-[2-(7-chloroquinolin-8-yl)ethyl]pyrimidin-4-amine (CID 135380861) is 6-chloro-N-[2-(7-chloroquinolin-8-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-[2-(7-chloroquinolin-8-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-[2-(7-chloroquinolin-8-yl)ethyl]pyrimidin-4-amine is Clc1cc(NCCc2c(Cl)ccc3cccnc23)ncn1.
What is the InChIKey of 6-chloro-N-[2-(7-chloroquinolin-8-yl)ethyl]pyrimidin-4-amine?
The InChIKey is UCRKXMPDJBAQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N4/c16-12-4-3-10-2-1-6-19-15(10)11(12)5-7-18-14-8-13(17)20-9-21-14/h1-4,6,8-9H,5,7H2,(H,18,20,21).
What are the key properties of 6-chloro-N-[2-(7-chloroquinolin-8-yl)ethyl]pyrimidin-4-amine?
6-chloro-N-[2-(7-chloroquinolin-8-yl)ethyl]pyrimidin-4-amine has a molecular weight of 319.20 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-(7-chloroquinolin-8-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 135380861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).