2-fluoro-N-[(3-methoxyphenyl)methyl]-9-(oxolan-2-yl)purin-6-amine

C17H18FN5O2 — CID 162441030

IUPAC2-fluoro-N-[(3-methoxyphenyl)methyl]-9-(oxolan-2-yl)purin-6-amine
SMILESCOc1cccc(CNc2nc(F)nc3c2ncn3C2CCCO2)c1
InChIInChI=1S/C17H18FN5O2/c1-24-12-5-2-4-11(8-12)9-19-15-14-16(22-17(18)21-15)23(10-20-14)13-6-3-7-25-13/h2,4-5,8,10,13H,3,6-7,9H2,1H3,(H,19,21,22)
InChIKeyOZGFUMVIOKPNKZ-UHFFFAOYSA-N
MW343.36 g/mol
LogP2.90
Rot. Bonds5

About 2-fluoro-N-[(3-methoxyphenyl)methyl]-9-(oxolan-2-yl)purin-6-amine

2-fluoro-N-[(3-methoxyphenyl)methyl]-9-(oxolan-2-yl)purin-6-amine (PubChem CID 162441030) has the molecular formula C17H18FN5O2 and a molecular weight of 343.36 g/mol. Its IUPAC name is 2-fluoro-N-[(3-methoxyphenyl)methyl]-9-(oxolan-2-yl)purin-6-amine.

Molecular Properties

Compound Name2-fluoro-N-[(3-methoxyphenyl)methyl]-9-(oxolan-2-yl)purin-6-amine
PubChem CID162441030
Molecular FormulaC17H18FN5O2
Molecular Weight343.36 g/mol
Exact Mass343.14
IUPAC Name2-fluoro-N-[(3-methoxyphenyl)methyl]-9-(oxolan-2-yl)purin-6-amine
SMILESCOc1cccc(CNc2nc(F)nc3c2ncn3C2CCCO2)c1
InChIInChI=1S/C17H18FN5O2/c1-24-12-5-2-4-11(8-12)9-19-15-14-16(22-17(18)21-15)23(10-20-14)13-6-3-7-25-13/h2,4-5,8,10,13H,3,6-7,9H2,1H3,(H,19,21,22)
InChIKeyOZGFUMVIOKPNKZ-UHFFFAOYSA-N
XLogP2.90
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-fluoro-N-[(3-methoxyphenyl)methyl]-9-(oxetan-2-yl)purin-6-amine
CID 162441151
methyl 3-[[[2-fluoro-9-(oxepan-2-yl)purin-6-yl]amino]methyl]benzoate
CID 162440885
N-[(3-bromophenyl)methyl]-2-fluoro-9-(oxetan-2-yl)purin-6-amine
CID 162441026
5-[[[2-fluoro-9-(oxepan-2-yl)purin-6-yl]amino]methyl]-2-methoxyphenol
CID 162440956
2-fluoro-N-[(3-methoxyfuran-2-yl)methyl]-9-(oxolan-2-yl)purin-6-amine
CID 162440952
2-fluoro-9-(oxan-2-yl)-N-[(3,4,5-trifluorophenyl)methyl]purin-6-amine
CID 162441159
2-fluoro-N-[(4-fluorophenyl)methyl]-9-(oxetan-2-yl)purin-6-amine
CID 162441059
2-[[2-fluoro-9-(oxolan-2-yl)purin-6-yl]amino]-4-methoxyphenol
CID 146575052
2-chloro-5-[[[2-fluoro-9-(oxan-2-yl)purin-6-yl]amino]methyl]phenol
CID 162441132
2-fluoro-N-[(2-methylphenyl)methyl]-9-(oxan-2-yl)purin-6-amine
CID 162441039
2-fluoro-9-(oxolan-2-yl)-N-(2,3,5-trimethoxyphenyl)purin-6-amine
CID 162441190
2-fluoro-9-(oxan-2-yl)-N-[(2,3,6-trifluorophenyl)methyl]purin-6-amine
CID 162441138

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(3-methoxyphenyl)methyl]-9-(oxolan-2-yl)purin-6-amine?
The IUPAC name of 2-fluoro-N-[(3-methoxyphenyl)methyl]-9-(oxolan-2-yl)purin-6-amine (CID 162441030) is 2-fluoro-N-[(3-methoxyphenyl)methyl]-9-(oxolan-2-yl)purin-6-amine.
What is the SMILES notation for 2-fluoro-N-[(3-methoxyphenyl)methyl]-9-(oxolan-2-yl)purin-6-amine?
The canonical SMILES for 2-fluoro-N-[(3-methoxyphenyl)methyl]-9-(oxolan-2-yl)purin-6-amine is COc1cccc(CNc2nc(F)nc3c2ncn3C2CCCO2)c1.
What is the InChIKey of 2-fluoro-N-[(3-methoxyphenyl)methyl]-9-(oxolan-2-yl)purin-6-amine?
The InChIKey is OZGFUMVIOKPNKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN5O2/c1-24-12-5-2-4-11(8-12)9-19-15-14-16(22-17(18)21-15)23(10-20-14)13-6-3-7-25-13/h2,4-5,8,10,13H,3,6-7,9H2,1H3,(H,19,21,22).
What are the key properties of 2-fluoro-N-[(3-methoxyphenyl)methyl]-9-(oxolan-2-yl)purin-6-amine?
2-fluoro-N-[(3-methoxyphenyl)methyl]-9-(oxolan-2-yl)purin-6-amine has a molecular weight of 343.36 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(3-methoxyphenyl)methyl]-9-(oxolan-2-yl)purin-6-amine is sourced from PubChem (CID 162441030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).