9-cyclopropyl-N-(2-quinolin-3-ylethyl)purin-6-amine

C19H18N6 — CID 146140725

IUPAC9-cyclopropyl-N-(2-quinolin-3-ylethyl)purin-6-amine
SMILESc1ccc2ncc(CCNc3ncnc4c3ncn4C3CC3)cc2c1
InChIInChI=1S/C19H18N6/c1-2-4-16-14(3-1)9-13(10-21-16)7-8-20-18-17-19(23-11-22-18)25(12-24-17)15-5-6-15/h1-4,9-12,15H,5-8H2,(H,20,22,23)
InChIKeyIGPAHSVPPFNOGA-UHFFFAOYSA-N
MW330.40 g/mol
LogP3.36
Rot. Bonds5

About 9-cyclopropyl-N-(2-quinolin-3-ylethyl)purin-6-amine

9-cyclopropyl-N-(2-quinolin-3-ylethyl)purin-6-amine (PubChem CID 146140725) has the molecular formula C19H18N6 and a molecular weight of 330.40 g/mol. Its IUPAC name is 9-cyclopropyl-N-(2-quinolin-3-ylethyl)purin-6-amine.

Molecular Properties

Compound Name9-cyclopropyl-N-(2-quinolin-3-ylethyl)purin-6-amine
PubChem CID146140725
Molecular FormulaC19H18N6
Molecular Weight330.40 g/mol
Exact Mass330.16
IUPAC Name9-cyclopropyl-N-(2-quinolin-3-ylethyl)purin-6-amine
SMILESc1ccc2ncc(CCNc3ncnc4c3ncn4C3CC3)cc2c1
InChIInChI=1S/C19H18N6/c1-2-4-16-14(3-1)9-13(10-21-16)7-8-20-18-17-19(23-11-22-18)25(12-24-17)15-5-6-15/h1-4,9-12,15H,5-8H2,(H,20,22,23)
InChIKeyIGPAHSVPPFNOGA-UHFFFAOYSA-N
XLogP3.36
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

9-cyclopropyl-N-(3-methylbutyl)purin-6-amine
CID 169041252
9-cyclopentyl-N-pentylpurin-6-amine
CID 142647479
9-cyclopropyl-N-(1,2-thiazol-5-ylmethyl)purin-6-amine
CID 166246142
9-cyclopropyl-N-[[3-(2,2-difluoroethoxy)phenyl]methyl]purin-6-amine
CID 136544652
N-(2-cyclohex-2-en-1-ylethyl)-9-cyclopentylpurin-6-amine
CID 44591064
9-cyclopropyl-N-(2,6-dimethylphenyl)purin-6-amine
CID 163344743
(2R,3S,4R,5R)-2-(aminomethyl)-5-[6-(2-phenylethylamino)purin-9-yl]oxolane-3,4-diol;hydrochloride
CID 121486836
N-benzyl-9-(oxiran-2-yl)purin-6-amine
CID 174692063
9-cyclopropyl-N-(2,3-difluorophenyl)purin-6-amine
CID 154829307
3-[6-(benzylamino)purin-9-yl]-1-methylcyclobutan-1-ol
CID 155962940
2-methyl-N-(3-quinolin-3-ylpropyl)propan-2-amine
CID 64506111
2-chloro-9-cyclopentyl-N-(3-phenylpropyl)purin-6-amine
CID 18473321

Frequently Asked Questions

What is the IUPAC name of 9-cyclopropyl-N-(2-quinolin-3-ylethyl)purin-6-amine?
The IUPAC name of 9-cyclopropyl-N-(2-quinolin-3-ylethyl)purin-6-amine (CID 146140725) is 9-cyclopropyl-N-(2-quinolin-3-ylethyl)purin-6-amine.
What is the SMILES notation for 9-cyclopropyl-N-(2-quinolin-3-ylethyl)purin-6-amine?
The canonical SMILES for 9-cyclopropyl-N-(2-quinolin-3-ylethyl)purin-6-amine is c1ccc2ncc(CCNc3ncnc4c3ncn4C3CC3)cc2c1.
What is the InChIKey of 9-cyclopropyl-N-(2-quinolin-3-ylethyl)purin-6-amine?
The InChIKey is IGPAHSVPPFNOGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6/c1-2-4-16-14(3-1)9-13(10-21-16)7-8-20-18-17-19(23-11-22-18)25(12-24-17)15-5-6-15/h1-4,9-12,15H,5-8H2,(H,20,22,23).
What are the key properties of 9-cyclopropyl-N-(2-quinolin-3-ylethyl)purin-6-amine?
9-cyclopropyl-N-(2-quinolin-3-ylethyl)purin-6-amine has a molecular weight of 330.40 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclopropyl-N-(2-quinolin-3-ylethyl)purin-6-amine is sourced from PubChem (CID 146140725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).