6-N-cyclopropyl-2-N-quinolin-6-yl-7H-purine-2,6-diamine

C17H15N7 — CID 15983184

IUPAC6-N-cyclopropyl-2-N-quinolin-6-yl-7H-purine-2,6-diamine
SMILESc1cnc2ccc(Nc3nc(NC4CC4)c4[nH]cnc4n3)cc2c1
InChIInChI=1S/C17H15N7/c1-2-10-8-12(5-6-13(10)18-7-1)22-17-23-15-14(19-9-20-15)16(24-17)21-11-3-4-11/h1-2,5-9,11H,3-4H2,(H3,19,20,21,22,23,24)
InChIKeyQUTFBURLXCODBH-UHFFFAOYSA-N
MW317.36 g/mol
LogP3.22
Rot. Bonds4

About 6-N-cyclopropyl-2-N-quinolin-6-yl-7H-purine-2,6-diamine

6-N-cyclopropyl-2-N-quinolin-6-yl-7H-purine-2,6-diamine (PubChem CID 15983184) has the molecular formula C17H15N7 and a molecular weight of 317.36 g/mol. Its IUPAC name is 6-N-cyclopropyl-2-N-quinolin-6-yl-7H-purine-2,6-diamine.

Molecular Properties

Compound Name6-N-cyclopropyl-2-N-quinolin-6-yl-7H-purine-2,6-diamine
PubChem CID15983184
Molecular FormulaC17H15N7
Molecular Weight317.36 g/mol
Exact Mass317.14
IUPAC Name6-N-cyclopropyl-2-N-quinolin-6-yl-7H-purine-2,6-diamine
SMILESc1cnc2ccc(Nc3nc(NC4CC4)c4[nH]cnc4n3)cc2c1
InChIInChI=1S/C17H15N7/c1-2-10-8-12(5-6-13(10)18-7-1)22-17-23-15-14(19-9-20-15)16(24-17)21-11-3-4-11/h1-2,5-9,11H,3-4H2,(H3,19,20,21,22,23,24)
InChIKeyQUTFBURLXCODBH-UHFFFAOYSA-N
XLogP3.22
TPSA91.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-N-cyclopropyl-2-N-quinolin-6-yl-7H-purine-2,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-N-cyclopropyl-2-N-quinolin-6-yl-7H-purine-2,6-diamine?
The IUPAC name of 6-N-cyclopropyl-2-N-quinolin-6-yl-7H-purine-2,6-diamine (CID 15983184) is 6-N-cyclopropyl-2-N-quinolin-6-yl-7H-purine-2,6-diamine.
What is the SMILES notation for 6-N-cyclopropyl-2-N-quinolin-6-yl-7H-purine-2,6-diamine?
The canonical SMILES for 6-N-cyclopropyl-2-N-quinolin-6-yl-7H-purine-2,6-diamine is c1cnc2ccc(Nc3nc(NC4CC4)c4[nH]cnc4n3)cc2c1.
What is the InChIKey of 6-N-cyclopropyl-2-N-quinolin-6-yl-7H-purine-2,6-diamine?
The InChIKey is QUTFBURLXCODBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N7/c1-2-10-8-12(5-6-13(10)18-7-1)22-17-23-15-14(19-9-20-15)16(24-17)21-11-3-4-11/h1-2,5-9,11H,3-4H2,(H3,19,20,21,22,23,24).
What are the key properties of 6-N-cyclopropyl-2-N-quinolin-6-yl-7H-purine-2,6-diamine?
6-N-cyclopropyl-2-N-quinolin-6-yl-7H-purine-2,6-diamine has a molecular weight of 317.36 g/mol, XLogP of 3.22, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-cyclopropyl-2-N-quinolin-6-yl-7H-purine-2,6-diamine is sourced from PubChem (CID 15983184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).