N'-(2-chloro-6-methylpyrimidin-4-yl)-N-(7-chloroquinolin-4-yl)ethane-1,2-diamine

C16H15Cl2N5 — CID 70682870

IUPACN'-(2-chloro-6-methylpyrimidin-4-yl)-N-(7-chloroquinolin-4-yl)ethane-1,2-diamine
SMILESCc1cc(NCCNc2ccnc3cc(Cl)ccc23)nc(Cl)n1
InChIInChI=1S/C16H15Cl2N5/c1-10-8-15(23-16(18)22-10)21-7-6-20-13-4-5-19-14-9-11(17)2-3-12(13)14/h2-5,8-9H,6-7H2,1H3,(H,19,20)(H,21,22,23)
InChIKeyAUQPIEDXPKYHPW-UHFFFAOYSA-N
MW348.24 g/mol
LogP4.16
Rot. Bonds5

About N'-(2-chloro-6-methylpyrimidin-4-yl)-N-(7-chloroquinolin-4-yl)ethane-1,2-diamine

N'-(2-chloro-6-methylpyrimidin-4-yl)-N-(7-chloroquinolin-4-yl)ethane-1,2-diamine (PubChem CID 70682870) has the molecular formula C16H15Cl2N5 and a molecular weight of 348.24 g/mol. Its IUPAC name is N'-(2-chloro-6-methylpyrimidin-4-yl)-N-(7-chloroquinolin-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-chloro-6-methylpyrimidin-4-yl)-N-(7-chloroquinolin-4-yl)ethane-1,2-diamine
PubChem CID70682870
Molecular FormulaC16H15Cl2N5
Molecular Weight348.24 g/mol
Exact Mass347.07
IUPAC NameN'-(2-chloro-6-methylpyrimidin-4-yl)-N-(7-chloroquinolin-4-yl)ethane-1,2-diamine
SMILESCc1cc(NCCNc2ccnc3cc(Cl)ccc23)nc(Cl)n1
InChIInChI=1S/C16H15Cl2N5/c1-10-8-15(23-16(18)22-10)21-7-6-20-13-4-5-19-14-9-11(17)2-3-12(13)14/h2-5,8-9H,6-7H2,1H3,(H,19,20)(H,21,22,23)
InChIKeyAUQPIEDXPKYHPW-UHFFFAOYSA-N
XLogP4.16
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(2-chloro-6-methylpyrimidin-4-yl)-N-(7-chloroquinolin-4-yl)ethane-1,2-diamine?
The IUPAC name of N'-(2-chloro-6-methylpyrimidin-4-yl)-N-(7-chloroquinolin-4-yl)ethane-1,2-diamine (CID 70682870) is N'-(2-chloro-6-methylpyrimidin-4-yl)-N-(7-chloroquinolin-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2-chloro-6-methylpyrimidin-4-yl)-N-(7-chloroquinolin-4-yl)ethane-1,2-diamine?
The canonical SMILES for N'-(2-chloro-6-methylpyrimidin-4-yl)-N-(7-chloroquinolin-4-yl)ethane-1,2-diamine is Cc1cc(NCCNc2ccnc3cc(Cl)ccc23)nc(Cl)n1.
What is the InChIKey of N'-(2-chloro-6-methylpyrimidin-4-yl)-N-(7-chloroquinolin-4-yl)ethane-1,2-diamine?
The InChIKey is AUQPIEDXPKYHPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N5/c1-10-8-15(23-16(18)22-10)21-7-6-20-13-4-5-19-14-9-11(17)2-3-12(13)14/h2-5,8-9H,6-7H2,1H3,(H,19,20)(H,21,22,23).
What are the key properties of N'-(2-chloro-6-methylpyrimidin-4-yl)-N-(7-chloroquinolin-4-yl)ethane-1,2-diamine?
N'-(2-chloro-6-methylpyrimidin-4-yl)-N-(7-chloroquinolin-4-yl)ethane-1,2-diamine has a molecular weight of 348.24 g/mol, XLogP of 4.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chloro-6-methylpyrimidin-4-yl)-N-(7-chloroquinolin-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 70682870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).