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

C17H19ClN6O — CID 71508319

IUPAC6-[2-[(7-chloroquinolin-4-yl)amino]butoxy]pyrimidine-2,4-diamine
SMILESCCC(COc1cc(N)nc(N)n1)Nc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C17H19ClN6O/c1-2-11(9-25-16-8-15(19)23-17(20)24-16)22-13-5-6-21-14-7-10(18)3-4-12(13)14/h3-8,11H,2,9H2,1H3,(H,21,22)(H4,19,20,23,24)
InChIKeySFJGSGLNUIXGIG-UHFFFAOYSA-N
MW358.83 g/mol
LogP3.11
Rot. Bonds6

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

6-[2-[(7-chloroquinolin-4-yl)amino]butoxy]pyrimidine-2,4-diamine (PubChem CID 71508319) has the molecular formula C17H19ClN6O and a molecular weight of 358.83 g/mol. Its IUPAC name is 6-[2-[(7-chloroquinolin-4-yl)amino]butoxy]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-[2-[(7-chloroquinolin-4-yl)amino]butoxy]pyrimidine-2,4-diamine
PubChem CID71508319
Molecular FormulaC17H19ClN6O
Molecular Weight358.83 g/mol
Exact Mass358.13
IUPAC Name6-[2-[(7-chloroquinolin-4-yl)amino]butoxy]pyrimidine-2,4-diamine
SMILESCCC(COc1cc(N)nc(N)n1)Nc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C17H19ClN6O/c1-2-11(9-25-16-8-15(19)23-17(20)24-16)22-13-5-6-21-14-7-10(18)3-4-12(13)14/h3-8,11H,2,9H2,1H3,(H,21,22)(H4,19,20,23,24)
InChIKeySFJGSGLNUIXGIG-UHFFFAOYSA-N
XLogP3.11
TPSA111.97 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[(7-chloroquinolin-4-yl)amino]butoxy]pyrimidine-2,4-diamine?
The IUPAC name of 6-[2-[(7-chloroquinolin-4-yl)amino]butoxy]pyrimidine-2,4-diamine (CID 71508319) is 6-[2-[(7-chloroquinolin-4-yl)amino]butoxy]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-[2-[(7-chloroquinolin-4-yl)amino]butoxy]pyrimidine-2,4-diamine?
The canonical SMILES for 6-[2-[(7-chloroquinolin-4-yl)amino]butoxy]pyrimidine-2,4-diamine is CCC(COc1cc(N)nc(N)n1)Nc1ccnc2cc(Cl)ccc12.
What is the InChIKey of 6-[2-[(7-chloroquinolin-4-yl)amino]butoxy]pyrimidine-2,4-diamine?
The InChIKey is SFJGSGLNUIXGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN6O/c1-2-11(9-25-16-8-15(19)23-17(20)24-16)22-13-5-6-21-14-7-10(18)3-4-12(13)14/h3-8,11H,2,9H2,1H3,(H,21,22)(H4,19,20,23,24).
What are the key properties of 6-[2-[(7-chloroquinolin-4-yl)amino]butoxy]pyrimidine-2,4-diamine?
6-[2-[(7-chloroquinolin-4-yl)amino]butoxy]pyrimidine-2,4-diamine has a molecular weight of 358.83 g/mol, XLogP of 3.11, 6 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]butoxy]pyrimidine-2,4-diamine is sourced from PubChem (CID 71508319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).