N-[(1S)-1-(2-butyl-7-fluoroquinolin-3-yl)ethyl]-7H-purin-6-amine

C20H21FN6 — CID 56599717

IUPACN-[(1S)-1-(2-butyl-7-fluoroquinolin-3-yl)ethyl]-7H-purin-6-amine
SMILESCCCCc1nc2cc(F)ccc2cc1[C@H](C)Nc1ncnc2nc[nH]c12
InChIInChI=1S/C20H21FN6/c1-3-4-5-16-15(8-13-6-7-14(21)9-17(13)27-16)12(2)26-20-18-19(23-10-22-18)24-11-25-20/h6-12H,3-5H2,1-2H3,(H2,22,23,24,25,26)/t12-/m0/s1
InChIKeySNOUYVZSEJXORG-LBPRGKRZSA-N
MW364.43 g/mol
LogP4.56
Rot. Bonds6

About N-[(1S)-1-(2-butyl-7-fluoroquinolin-3-yl)ethyl]-7H-purin-6-amine

N-[(1S)-1-(2-butyl-7-fluoroquinolin-3-yl)ethyl]-7H-purin-6-amine (PubChem CID 56599717) has the molecular formula C20H21FN6 and a molecular weight of 364.43 g/mol. Its IUPAC name is N-[(1S)-1-(2-butyl-7-fluoroquinolin-3-yl)ethyl]-7H-purin-6-amine.

Molecular Properties

Compound NameN-[(1S)-1-(2-butyl-7-fluoroquinolin-3-yl)ethyl]-7H-purin-6-amine
PubChem CID56599717
Molecular FormulaC20H21FN6
Molecular Weight364.43 g/mol
Exact Mass364.18
IUPAC NameN-[(1S)-1-(2-butyl-7-fluoroquinolin-3-yl)ethyl]-7H-purin-6-amine
SMILESCCCCc1nc2cc(F)ccc2cc1[C@H](C)Nc1ncnc2nc[nH]c12
InChIInChI=1S/C20H21FN6/c1-3-4-5-16-15(8-13-6-7-14(21)9-17(13)27-16)12(2)26-20-18-19(23-10-22-18)24-11-25-20/h6-12H,3-5H2,1-2H3,(H2,22,23,24,25,26)/t12-/m0/s1
InChIKeySNOUYVZSEJXORG-LBPRGKRZSA-N
XLogP4.56
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[7-fluoro-2-(5,5,5-trifluoropentyl)quinolin-3-yl]ethyl]-7H-purin-6-amine
CID 66632769
N-[(1S)-1-[7-fluoro-2-(2-methylbutyl)quinolin-3-yl]ethyl]-7H-purin-6-amine
CID 66632120
N-[1-[2-(ethoxymethyl)-7-fluoroquinolin-3-yl]ethyl]-7H-purin-6-amine
CID 66632442
N-[(1S)-1-[2-[[ethyl(methyl)amino]methyl]-7-fluoroquinolin-3-yl]ethyl]-7H-purin-6-amine
CID 66632635
N-[2-(7-fluoro-2-hexylquinolin-3-yl)ethyl]-7H-purin-6-amine
CID 66632887
N-[(1R)-1-(6-fluoro-4-phenylquinolin-3-yl)ethyl]-7H-purin-6-amine;N-[(1S)-1-(6-fluoro-4-phenylquinolin-3-yl)ethyl]-7H-purin-6-amine
CID 158562573
N-[1-[6-fluoro-4-(3-fluorophenyl)quinolin-3-yl]ethyl]-7H-purin-6-amine
CID 67511145
N-[1-(6-fluoro-4-pyridin-2-ylquinolin-3-yl)ethyl]-7H-purin-6-amine
CID 67511498
N-[1-[3-(4-fluorophenyl)-5-methylquinoxalin-2-yl]ethyl]-7H-purin-6-amine
CID 71550309
7-fluoro-N-(3-methoxypropyl)-8-methyl-3-[(1S)-1-(7H-purin-6-ylamino)ethyl]quinolin-2-amine
CID 46870413
3-(4-fluoro-2-methylanilino)-5-propyl-2-[(1S)-1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one
CID 144566928
3-(3,5-difluorophenyl)-6-fluoro-2-[(1S)-1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one
CID 118044120

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-butyl-7-fluoroquinolin-3-yl)ethyl]-7H-purin-6-amine?
The IUPAC name of N-[(1S)-1-(2-butyl-7-fluoroquinolin-3-yl)ethyl]-7H-purin-6-amine (CID 56599717) is N-[(1S)-1-(2-butyl-7-fluoroquinolin-3-yl)ethyl]-7H-purin-6-amine.
What is the SMILES notation for N-[(1S)-1-(2-butyl-7-fluoroquinolin-3-yl)ethyl]-7H-purin-6-amine?
The canonical SMILES for N-[(1S)-1-(2-butyl-7-fluoroquinolin-3-yl)ethyl]-7H-purin-6-amine is CCCCc1nc2cc(F)ccc2cc1[C@H](C)Nc1ncnc2nc[nH]c12.
What is the InChIKey of N-[(1S)-1-(2-butyl-7-fluoroquinolin-3-yl)ethyl]-7H-purin-6-amine?
The InChIKey is SNOUYVZSEJXORG-LBPRGKRZSA-N. The full InChI is InChI=1S/C20H21FN6/c1-3-4-5-16-15(8-13-6-7-14(21)9-17(13)27-16)12(2)26-20-18-19(23-10-22-18)24-11-25-20/h6-12H,3-5H2,1-2H3,(H2,22,23,24,25,26)/t12-/m0/s1.
What are the key properties of N-[(1S)-1-(2-butyl-7-fluoroquinolin-3-yl)ethyl]-7H-purin-6-amine?
N-[(1S)-1-(2-butyl-7-fluoroquinolin-3-yl)ethyl]-7H-purin-6-amine has a molecular weight of 364.43 g/mol, XLogP of 4.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2-butyl-7-fluoroquinolin-3-yl)ethyl]-7H-purin-6-amine is sourced from PubChem (CID 56599717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).