6-[2-[(7-chloroquinolin-4-yl)amino]ethoxy]pyrimidine-2,4-diamine

C15H15ClN6O — CID 71508272

IUPAC6-[2-[(7-chloroquinolin-4-yl)amino]ethoxy]pyrimidine-2,4-diamine
SMILESNc1cc(OCCNc2ccnc3cc(Cl)ccc23)nc(N)n1
InChIInChI=1S/C15H15ClN6O/c16-9-1-2-10-11(3-4-19-12(10)7-9)20-5-6-23-14-8-13(17)21-15(18)22-14/h1-4,7-8H,5-6H2,(H,19,20)(H4,17,18,21,22)
InChIKeyJUWWLANQZIJYFV-UHFFFAOYSA-N
MW330.78 g/mol
LogP2.33
Rot. Bonds5

About 6-[2-[(7-chloroquinolin-4-yl)amino]ethoxy]pyrimidine-2,4-diamine

6-[2-[(7-chloroquinolin-4-yl)amino]ethoxy]pyrimidine-2,4-diamine (PubChem CID 71508272) has the molecular formula C15H15ClN6O and a molecular weight of 330.78 g/mol. Its IUPAC name is 6-[2-[(7-chloroquinolin-4-yl)amino]ethoxy]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-[2-[(7-chloroquinolin-4-yl)amino]ethoxy]pyrimidine-2,4-diamine
PubChem CID71508272
Molecular FormulaC15H15ClN6O
Molecular Weight330.78 g/mol
Exact Mass330.10
IUPAC Name6-[2-[(7-chloroquinolin-4-yl)amino]ethoxy]pyrimidine-2,4-diamine
SMILESNc1cc(OCCNc2ccnc3cc(Cl)ccc23)nc(N)n1
InChIInChI=1S/C15H15ClN6O/c16-9-1-2-10-11(3-4-19-12(10)7-9)20-5-6-23-14-8-13(17)21-15(18)22-14/h1-4,7-8H,5-6H2,(H,19,20)(H4,17,18,21,22)
InChIKeyJUWWLANQZIJYFV-UHFFFAOYSA-N
XLogP2.33
TPSA111.97 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.78
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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 6-[2-[(7-chloroquinolin-4-yl)amino]ethoxy]pyrimidine-2,4-diamine?
The IUPAC name of 6-[2-[(7-chloroquinolin-4-yl)amino]ethoxy]pyrimidine-2,4-diamine (CID 71508272) is 6-[2-[(7-chloroquinolin-4-yl)amino]ethoxy]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-[2-[(7-chloroquinolin-4-yl)amino]ethoxy]pyrimidine-2,4-diamine?
The canonical SMILES for 6-[2-[(7-chloroquinolin-4-yl)amino]ethoxy]pyrimidine-2,4-diamine is Nc1cc(OCCNc2ccnc3cc(Cl)ccc23)nc(N)n1.
What is the InChIKey of 6-[2-[(7-chloroquinolin-4-yl)amino]ethoxy]pyrimidine-2,4-diamine?
The InChIKey is JUWWLANQZIJYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN6O/c16-9-1-2-10-11(3-4-19-12(10)7-9)20-5-6-23-14-8-13(17)21-15(18)22-14/h1-4,7-8H,5-6H2,(H,19,20)(H4,17,18,21,22).
What are the key properties of 6-[2-[(7-chloroquinolin-4-yl)amino]ethoxy]pyrimidine-2,4-diamine?
6-[2-[(7-chloroquinolin-4-yl)amino]ethoxy]pyrimidine-2,4-diamine has a molecular weight of 330.78 g/mol, XLogP of 2.33, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(7-chloroquinolin-4-yl)amino]ethoxy]pyrimidine-2,4-diamine is sourced from PubChem (CID 71508272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).