N-[(2-fluorophenyl)methyl]-9-(2-methoxyethyl)purin-6-amine

C15H16FN5O — CID 155799084

IUPACN-[(2-fluorophenyl)methyl]-9-(2-methoxyethyl)purin-6-amine
SMILESCOCCn1cnc2c(NCc3ccccc3F)ncnc21
InChIInChI=1S/C15H16FN5O/c1-22-7-6-21-10-20-13-14(18-9-19-15(13)21)17-8-11-4-2-3-5-12(11)16/h2-5,9-10H,6-8H2,1H3,(H,17,18,19)
InChIKeyPXBUESAWEVKFIY-UHFFFAOYSA-N
MW301.32 g/mol
LogP2.22
Rot. Bonds6

About N-[(2-fluorophenyl)methyl]-9-(2-methoxyethyl)purin-6-amine

N-[(2-fluorophenyl)methyl]-9-(2-methoxyethyl)purin-6-amine (PubChem CID 155799084) has the molecular formula C15H16FN5O and a molecular weight of 301.32 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-9-(2-methoxyethyl)purin-6-amine.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-9-(2-methoxyethyl)purin-6-amine
PubChem CID155799084
Molecular FormulaC15H16FN5O
Molecular Weight301.32 g/mol
Exact Mass301.13
IUPAC NameN-[(2-fluorophenyl)methyl]-9-(2-methoxyethyl)purin-6-amine
SMILESCOCCn1cnc2c(NCc3ccccc3F)ncnc21
InChIInChI=1S/C15H16FN5O/c1-22-7-6-21-10-20-13-14(18-9-19-15(13)21)17-8-11-4-2-3-5-12(11)16/h2-5,9-10H,6-8H2,1H3,(H,17,18,19)
InChIKeyPXBUESAWEVKFIY-UHFFFAOYSA-N
XLogP2.22
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

9-ethyl-N-[(2-fluorophenyl)methyl]purin-6-amine
CID 165433816
4-N-[(2-fluorophenyl)methyl]-6-(2-methoxyethoxy)pyrimidine-4,5-diamine
CID 82455299
N-[4-[[9-(2-methoxyethyl)purin-6-yl]amino]phenyl]acetamide
CID 155799343
N-[(2-fluorophenyl)methyl]-7,8-dimethoxyquinazolin-4-amine
CID 110431413
N-benzyl-9-heptylpurin-6-amine
CID 71371736
N-(4-bromo-3-methylphenyl)-9-(2-methoxyethyl)purin-6-amine
CID 155799369
6-ethoxy-N-[(2-fluorophenyl)methyl]-5-methylpyrimidin-4-amine
CID 66325604
3-benzyl-N-[(2-fluorophenyl)methyl]triazolo[4,5-d]pyrimidin-7-amine
CID 43816104
9-ethyl-N-[(4-fluorophenyl)methyl]purin-6-amine
CID 155980707
4-N-[(2-fluorophenyl)methyl]-6-(2-methoxyethoxy)-2-methylpyrimidine-4,5-diamine
CID 82455571
9-(2-methoxyethyl)-6-(4-pyridin-2-ylpiperazin-1-yl)purine
CID 165433645
6-[4-(4-fluorophenyl)piperazin-1-yl]-9-(2-methoxyethyl)purine
CID 154829257

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-9-(2-methoxyethyl)purin-6-amine?
The IUPAC name of N-[(2-fluorophenyl)methyl]-9-(2-methoxyethyl)purin-6-amine (CID 155799084) is N-[(2-fluorophenyl)methyl]-9-(2-methoxyethyl)purin-6-amine.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-9-(2-methoxyethyl)purin-6-amine?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-9-(2-methoxyethyl)purin-6-amine is COCCn1cnc2c(NCc3ccccc3F)ncnc21.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-9-(2-methoxyethyl)purin-6-amine?
The InChIKey is PXBUESAWEVKFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN5O/c1-22-7-6-21-10-20-13-14(18-9-19-15(13)21)17-8-11-4-2-3-5-12(11)16/h2-5,9-10H,6-8H2,1H3,(H,17,18,19).
What are the key properties of N-[(2-fluorophenyl)methyl]-9-(2-methoxyethyl)purin-6-amine?
N-[(2-fluorophenyl)methyl]-9-(2-methoxyethyl)purin-6-amine has a molecular weight of 301.32 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-9-(2-methoxyethyl)purin-6-amine is sourced from PubChem (CID 155799084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).