N-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-7H-purin-6-amine

C15H14FN5 — CID 133446462

IUPACN-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-7H-purin-6-amine
SMILESFc1ccc2c(c1)C(Nc1ncnc3nc[nH]c13)CCC2
InChIInChI=1S/C15H14FN5/c16-10-5-4-9-2-1-3-12(11(9)6-10)21-15-13-14(18-7-17-13)19-8-20-15/h4-8,12H,1-3H2,(H2,17,18,19,20,21)
InChIKeyHDNFASGEOXITBC-UHFFFAOYSA-N
MW283.31 g/mol
LogP2.98
Rot. Bonds2

About N-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-7H-purin-6-amine

N-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-7H-purin-6-amine (PubChem CID 133446462) has the molecular formula C15H14FN5 and a molecular weight of 283.31 g/mol. Its IUPAC name is N-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-7H-purin-6-amine.

Molecular Properties

Compound NameN-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-7H-purin-6-amine
PubChem CID133446462
Molecular FormulaC15H14FN5
Molecular Weight283.31 g/mol
Exact Mass283.12
IUPAC NameN-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-7H-purin-6-amine
SMILESFc1ccc2c(c1)C(Nc1ncnc3nc[nH]c13)CCC2
InChIInChI=1S/C15H14FN5/c16-10-5-4-9-2-1-3-12(11(9)6-10)21-15-13-14(18-7-17-13)19-8-20-15/h4-8,12H,1-3H2,(H2,17,18,19,20,21)
InChIKeyHDNFASGEOXITBC-UHFFFAOYSA-N
XLogP2.98
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-7H-purin-6-amine?
The IUPAC name of N-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-7H-purin-6-amine (CID 133446462) is N-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-7H-purin-6-amine.
What is the SMILES notation for N-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-7H-purin-6-amine?
The canonical SMILES for N-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-7H-purin-6-amine is Fc1ccc2c(c1)C(Nc1ncnc3nc[nH]c13)CCC2.
What is the InChIKey of N-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-7H-purin-6-amine?
The InChIKey is HDNFASGEOXITBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN5/c16-10-5-4-9-2-1-3-12(11(9)6-10)21-15-13-14(18-7-17-13)19-8-20-15/h4-8,12H,1-3H2,(H2,17,18,19,20,21).
What are the key properties of N-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-7H-purin-6-amine?
N-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-7H-purin-6-amine has a molecular weight of 283.31 g/mol, XLogP of 2.98, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-7H-purin-6-amine is sourced from PubChem (CID 133446462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).