N-[2-(4-fluorophenyl)ethyl]-7-methylpurin-2-amine

C14H14FN5 — CID 162630034

IUPACN-[2-(4-fluorophenyl)ethyl]-7-methylpurin-2-amine
SMILESCn1cnc2nc(NCCc3ccc(F)cc3)ncc21
InChIInChI=1S/C14H14FN5/c1-20-9-18-13-12(20)8-17-14(19-13)16-7-6-10-2-4-11(15)5-3-10/h2-5,8-9H,6-7H2,1H3,(H,16,17,19)
InChIKeyXYRJRPSRTGOQOT-UHFFFAOYSA-N
MW271.30 g/mol
LogP2.16
Rot. Bonds4

About N-[2-(4-fluorophenyl)ethyl]-7-methylpurin-2-amine

N-[2-(4-fluorophenyl)ethyl]-7-methylpurin-2-amine (PubChem CID 162630034) has the molecular formula C14H14FN5 and a molecular weight of 271.30 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-7-methylpurin-2-amine.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-7-methylpurin-2-amine
PubChem CID162630034
Molecular FormulaC14H14FN5
Molecular Weight271.30 g/mol
Exact Mass271.12
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-7-methylpurin-2-amine
SMILESCn1cnc2nc(NCCc3ccc(F)cc3)ncc21
InChIInChI=1S/C14H14FN5/c1-20-9-18-13-12(20)8-17-14(19-13)16-7-6-10-2-4-11(15)5-3-10/h2-5,8-9H,6-7H2,1H3,(H,16,17,19)
InChIKeyXYRJRPSRTGOQOT-UHFFFAOYSA-N
XLogP2.16
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 ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-[(7-methylpurin-2-yl)amino]ethyl]benzenesulfonamide
CID 157016797
7-methyl-N-[2-(4-phenylpyrimidin-2-yl)ethyl]purin-2-amine
CID 157016578
7-methyl-N-[3-(2H-tetrazol-5-yl)propyl]purin-2-amine
CID 157019497
N-[2-(4-fluorophenyl)ethyl]-4-methylpyrimidin-2-amine
CID 55152107
5-fluoro-4-N-[2-(4-fluorophenyl)ethyl]-2-N-propylpyrimidine-2,4-diamine
CID 80771057
4-(4-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]-5-(1-methylimidazol-2-yl)pyrimidin-2-amine
CID 46951024
5-(4-fluorophenyl)-N-[2-(4-fluorophenyl)ethyl]-4-pyridin-4-ylpyrimidin-2-amine
CID 23000432
5-(4-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]-4-methylpyrimidin-2-amine
CID 171989077
2-N-[2-(4-fluorophenyl)ethyl]-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112893666
4-N-[2-(4-fluorophenyl)ethyl]-2-N-[2-(4-methoxyphenoxy)ethyl]pyrimidine-2,4-diamine
CID 112894692
4-N-butan-2-yl-2-N-[2-(4-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 112883509
5-fluoro-N-[2-(4-methoxyphenyl)ethyl]pyridin-2-amine
CID 61311581

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-7-methylpurin-2-amine?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-7-methylpurin-2-amine (CID 162630034) is N-[2-(4-fluorophenyl)ethyl]-7-methylpurin-2-amine.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-7-methylpurin-2-amine?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-7-methylpurin-2-amine is Cn1cnc2nc(NCCc3ccc(F)cc3)ncc21.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-7-methylpurin-2-amine?
The InChIKey is XYRJRPSRTGOQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN5/c1-20-9-18-13-12(20)8-17-14(19-13)16-7-6-10-2-4-11(15)5-3-10/h2-5,8-9H,6-7H2,1H3,(H,16,17,19).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-7-methylpurin-2-amine?
N-[2-(4-fluorophenyl)ethyl]-7-methylpurin-2-amine has a molecular weight of 271.30 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-7-methylpurin-2-amine is sourced from PubChem (CID 162630034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).