9-ethyl-N-[(4-fluorophenyl)methyl]purin-6-amine

C14H14FN5 — CID 155980707

IUPAC9-ethyl-N-[(4-fluorophenyl)methyl]purin-6-amine
SMILESCCn1cnc2c(NCc3ccc(F)cc3)ncnc21
InChIInChI=1S/C14H14FN5/c1-2-20-9-19-12-13(17-8-18-14(12)20)16-7-10-3-5-11(15)6-4-10/h3-6,8-9H,2,7H2,1H3,(H,16,17,18)
InChIKeyLQNTUPRQJBQIOT-UHFFFAOYSA-N
MW271.30 g/mol
LogP2.60
Rot. Bonds4

About 9-ethyl-N-[(4-fluorophenyl)methyl]purin-6-amine

9-ethyl-N-[(4-fluorophenyl)methyl]purin-6-amine (PubChem CID 155980707) has the molecular formula C14H14FN5 and a molecular weight of 271.30 g/mol. Its IUPAC name is 9-ethyl-N-[(4-fluorophenyl)methyl]purin-6-amine.

Molecular Properties

Compound Name9-ethyl-N-[(4-fluorophenyl)methyl]purin-6-amine
PubChem CID155980707
Molecular FormulaC14H14FN5
Molecular Weight271.30 g/mol
Exact Mass271.12
IUPAC Name9-ethyl-N-[(4-fluorophenyl)methyl]purin-6-amine
SMILESCCn1cnc2c(NCc3ccc(F)cc3)ncnc21
InChIInChI=1S/C14H14FN5/c1-2-20-9-19-12-13(17-8-18-14(12)20)16-7-10-3-5-11(15)6-4-10/h3-6,8-9H,2,7H2,1H3,(H,16,17,18)
InChIKeyLQNTUPRQJBQIOT-UHFFFAOYSA-N
XLogP2.60
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-ethyl-N-[(4-fluorophenyl)methyl]purin-6-amine?
The IUPAC name of 9-ethyl-N-[(4-fluorophenyl)methyl]purin-6-amine (CID 155980707) is 9-ethyl-N-[(4-fluorophenyl)methyl]purin-6-amine.
What is the SMILES notation for 9-ethyl-N-[(4-fluorophenyl)methyl]purin-6-amine?
The canonical SMILES for 9-ethyl-N-[(4-fluorophenyl)methyl]purin-6-amine is CCn1cnc2c(NCc3ccc(F)cc3)ncnc21.
What is the InChIKey of 9-ethyl-N-[(4-fluorophenyl)methyl]purin-6-amine?
The InChIKey is LQNTUPRQJBQIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN5/c1-2-20-9-19-12-13(17-8-18-14(12)20)16-7-10-3-5-11(15)6-4-10/h3-6,8-9H,2,7H2,1H3,(H,16,17,18).
What are the key properties of 9-ethyl-N-[(4-fluorophenyl)methyl]purin-6-amine?
9-ethyl-N-[(4-fluorophenyl)methyl]purin-6-amine has a molecular weight of 271.30 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-N-[(4-fluorophenyl)methyl]purin-6-amine is sourced from PubChem (CID 155980707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).