6-N-cyclopropyl-2-N-quinolin-3-yl-7H-purine-2,6-diamine

C17H15N7 — CID 58774172

IUPAC6-N-cyclopropyl-2-N-quinolin-3-yl-7H-purine-2,6-diamine
SMILESc1ccc2ncc(Nc3nc(NC4CC4)c4[nH]cnc4n3)cc2c1
InChIInChI=1S/C17H15N7/c1-2-4-13-10(3-1)7-12(8-18-13)22-17-23-15-14(19-9-20-15)16(24-17)21-11-5-6-11/h1-4,7-9,11H,5-6H2,(H3,19,20,21,22,23,24)
InChIKeyPVPSTPCJYDQKSC-UHFFFAOYSA-N
MW317.36 g/mol
LogP3.22
Rot. Bonds4

About 6-N-cyclopropyl-2-N-quinolin-3-yl-7H-purine-2,6-diamine

6-N-cyclopropyl-2-N-quinolin-3-yl-7H-purine-2,6-diamine (PubChem CID 58774172) has the molecular formula C17H15N7 and a molecular weight of 317.36 g/mol. Its IUPAC name is 6-N-cyclopropyl-2-N-quinolin-3-yl-7H-purine-2,6-diamine.

Molecular Properties

Compound Name6-N-cyclopropyl-2-N-quinolin-3-yl-7H-purine-2,6-diamine
PubChem CID58774172
Molecular FormulaC17H15N7
Molecular Weight317.36 g/mol
Exact Mass317.14
IUPAC Name6-N-cyclopropyl-2-N-quinolin-3-yl-7H-purine-2,6-diamine
SMILESc1ccc2ncc(Nc3nc(NC4CC4)c4[nH]cnc4n3)cc2c1
InChIInChI=1S/C17H15N7/c1-2-4-13-10(3-1)7-12(8-18-13)22-17-23-15-14(19-9-20-15)16(24-17)21-11-5-6-11/h1-4,7-9,11H,5-6H2,(H3,19,20,21,22,23,24)
InChIKeyPVPSTPCJYDQKSC-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

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Frequently Asked Questions

What is the IUPAC name of 6-N-cyclopropyl-2-N-quinolin-3-yl-7H-purine-2,6-diamine?
The IUPAC name of 6-N-cyclopropyl-2-N-quinolin-3-yl-7H-purine-2,6-diamine (CID 58774172) is 6-N-cyclopropyl-2-N-quinolin-3-yl-7H-purine-2,6-diamine.
What is the SMILES notation for 6-N-cyclopropyl-2-N-quinolin-3-yl-7H-purine-2,6-diamine?
The canonical SMILES for 6-N-cyclopropyl-2-N-quinolin-3-yl-7H-purine-2,6-diamine is c1ccc2ncc(Nc3nc(NC4CC4)c4[nH]cnc4n3)cc2c1.
What is the InChIKey of 6-N-cyclopropyl-2-N-quinolin-3-yl-7H-purine-2,6-diamine?
The InChIKey is PVPSTPCJYDQKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N7/c1-2-4-13-10(3-1)7-12(8-18-13)22-17-23-15-14(19-9-20-15)16(24-17)21-11-5-6-11/h1-4,7-9,11H,5-6H2,(H3,19,20,21,22,23,24).
What are the key properties of 6-N-cyclopropyl-2-N-quinolin-3-yl-7H-purine-2,6-diamine?
6-N-cyclopropyl-2-N-quinolin-3-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-3-yl-7H-purine-2,6-diamine is sourced from PubChem (CID 58774172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).