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

C17H19ClN6O2 — CID 71508318

IUPAC6-[2-[2-[(7-chloroquinolin-4-yl)amino]ethoxy]ethoxy]pyrimidine-2,4-diamine
SMILESNc1cc(OCCOCCNc2ccnc3cc(Cl)ccc23)nc(N)n1
InChIInChI=1S/C17H19ClN6O2/c18-11-1-2-12-13(3-4-21-14(12)9-11)22-5-6-25-7-8-26-16-10-15(19)23-17(20)24-16/h1-4,9-10H,5-8H2,(H,21,22)(H4,19,20,23,24)
InChIKeyMPTBKUYIMLCIKZ-UHFFFAOYSA-N
MW374.83 g/mol
LogP2.35
Rot. Bonds8

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

6-[2-[2-[(7-chloroquinolin-4-yl)amino]ethoxy]ethoxy]pyrimidine-2,4-diamine (PubChem CID 71508318) has the molecular formula C17H19ClN6O2 and a molecular weight of 374.83 g/mol. Its IUPAC name is 6-[2-[2-[(7-chloroquinolin-4-yl)amino]ethoxy]ethoxy]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-[2-[2-[(7-chloroquinolin-4-yl)amino]ethoxy]ethoxy]pyrimidine-2,4-diamine
PubChem CID71508318
Molecular FormulaC17H19ClN6O2
Molecular Weight374.83 g/mol
Exact Mass374.13
IUPAC Name6-[2-[2-[(7-chloroquinolin-4-yl)amino]ethoxy]ethoxy]pyrimidine-2,4-diamine
SMILESNc1cc(OCCOCCNc2ccnc3cc(Cl)ccc23)nc(N)n1
InChIInChI=1S/C17H19ClN6O2/c18-11-1-2-12-13(3-4-21-14(12)9-11)22-5-6-25-7-8-26-16-10-15(19)23-17(20)24-16/h1-4,9-10H,5-8H2,(H,21,22)(H4,19,20,23,24)
InChIKeyMPTBKUYIMLCIKZ-UHFFFAOYSA-N
XLogP2.35
TPSA121.20 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.83
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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-[2-[(7-chloroquinolin-4-yl)amino]ethoxy]ethoxy]pyrimidine-2,4-diamine?
The IUPAC name of 6-[2-[2-[(7-chloroquinolin-4-yl)amino]ethoxy]ethoxy]pyrimidine-2,4-diamine (CID 71508318) is 6-[2-[2-[(7-chloroquinolin-4-yl)amino]ethoxy]ethoxy]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-[2-[2-[(7-chloroquinolin-4-yl)amino]ethoxy]ethoxy]pyrimidine-2,4-diamine?
The canonical SMILES for 6-[2-[2-[(7-chloroquinolin-4-yl)amino]ethoxy]ethoxy]pyrimidine-2,4-diamine is Nc1cc(OCCOCCNc2ccnc3cc(Cl)ccc23)nc(N)n1.
What is the InChIKey of 6-[2-[2-[(7-chloroquinolin-4-yl)amino]ethoxy]ethoxy]pyrimidine-2,4-diamine?
The InChIKey is MPTBKUYIMLCIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN6O2/c18-11-1-2-12-13(3-4-21-14(12)9-11)22-5-6-25-7-8-26-16-10-15(19)23-17(20)24-16/h1-4,9-10H,5-8H2,(H,21,22)(H4,19,20,23,24).
What are the key properties of 6-[2-[2-[(7-chloroquinolin-4-yl)amino]ethoxy]ethoxy]pyrimidine-2,4-diamine?
6-[2-[2-[(7-chloroquinolin-4-yl)amino]ethoxy]ethoxy]pyrimidine-2,4-diamine has a molecular weight of 374.83 g/mol, XLogP of 2.35, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[2-[(7-chloroquinolin-4-yl)amino]ethoxy]ethoxy]pyrimidine-2,4-diamine is sourced from PubChem (CID 71508318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).