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

C15H16FN5O3 — CID 162440952

IUPAC2-fluoro-N-[(3-methoxyfuran-2-yl)methyl]-9-(oxolan-2-yl)purin-6-amine
SMILESCOc1ccoc1CNc1nc(F)nc2c1ncn2C1CCCO1
InChIInChI=1S/C15H16FN5O3/c1-22-9-4-6-23-10(9)7-17-13-12-14(20-15(16)19-13)21(8-18-12)11-3-2-5-24-11/h4,6,8,11H,2-3,5,7H2,1H3,(H,17,19,20)
InChIKeyIICHNZUYYJZZBE-UHFFFAOYSA-N
MW333.32 g/mol
LogP2.49
Rot. Bonds5

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

2-fluoro-N-[(3-methoxyfuran-2-yl)methyl]-9-(oxolan-2-yl)purin-6-amine (PubChem CID 162440952) has the molecular formula C15H16FN5O3 and a molecular weight of 333.32 g/mol. Its IUPAC name is 2-fluoro-N-[(3-methoxyfuran-2-yl)methyl]-9-(oxolan-2-yl)purin-6-amine.

Molecular Properties

Compound Name2-fluoro-N-[(3-methoxyfuran-2-yl)methyl]-9-(oxolan-2-yl)purin-6-amine
PubChem CID162440952
Molecular FormulaC15H16FN5O3
Molecular Weight333.32 g/mol
Exact Mass333.12
IUPAC Name2-fluoro-N-[(3-methoxyfuran-2-yl)methyl]-9-(oxolan-2-yl)purin-6-amine
SMILESCOc1ccoc1CNc1nc(F)nc2c1ncn2C1CCCO1
InChIInChI=1S/C15H16FN5O3/c1-22-9-4-6-23-10(9)7-17-13-12-14(20-15(16)19-13)21(8-18-12)11-3-2-5-24-11/h4,6,8,11H,2-3,5,7H2,1H3,(H,17,19,20)
InChIKeyIICHNZUYYJZZBE-UHFFFAOYSA-N
XLogP2.49
TPSA87.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.32
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-fluoro-N-[(3-methoxyphenyl)methyl]-9-(oxolan-2-yl)purin-6-amine
CID 162441030
5-[[[2-fluoro-9-(oxepan-2-yl)purin-6-yl]amino]methyl]-2-methoxyphenol
CID 162440956
2-fluoro-N-[(3-methoxyphenyl)methyl]-9-(oxetan-2-yl)purin-6-amine
CID 162441151
2-fluoro-N-[(2-methylphenyl)methyl]-9-(oxan-2-yl)purin-6-amine
CID 162441039
2-fluoro-N-[(4-fluorophenyl)methyl]-9-(oxetan-2-yl)purin-6-amine
CID 162441059
2-fluoro-9-(oxan-2-yl)-N-[(2,3,6-trifluorophenyl)methyl]purin-6-amine
CID 162441138
2-fluoro-9-(oxolan-2-yl)-N-(2,3,5-trimethoxyphenyl)purin-6-amine
CID 162441190
N-(2,3-dimethoxyphenyl)-2-fluoro-9-(oxepan-2-yl)purin-6-amine
CID 162440937
2-fluoro-N-[(5-methylfuran-2-yl)methyl]-9-(oxetan-2-yl)purin-6-amine
CID 162440928
2-fluoro-N-(3-methylbut-3-enyl)-9-(oxolan-2-yl)purin-6-amine
CID 162440908
2-fluoro-9-(oxan-2-yl)-N-[(3,4,5-trifluorophenyl)methyl]purin-6-amine
CID 162441159
methyl 3-[[[2-fluoro-9-(oxepan-2-yl)purin-6-yl]amino]methyl]benzoate
CID 162440885

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(3-methoxyfuran-2-yl)methyl]-9-(oxolan-2-yl)purin-6-amine?
The IUPAC name of 2-fluoro-N-[(3-methoxyfuran-2-yl)methyl]-9-(oxolan-2-yl)purin-6-amine (CID 162440952) is 2-fluoro-N-[(3-methoxyfuran-2-yl)methyl]-9-(oxolan-2-yl)purin-6-amine.
What is the SMILES notation for 2-fluoro-N-[(3-methoxyfuran-2-yl)methyl]-9-(oxolan-2-yl)purin-6-amine?
The canonical SMILES for 2-fluoro-N-[(3-methoxyfuran-2-yl)methyl]-9-(oxolan-2-yl)purin-6-amine is COc1ccoc1CNc1nc(F)nc2c1ncn2C1CCCO1.
What is the InChIKey of 2-fluoro-N-[(3-methoxyfuran-2-yl)methyl]-9-(oxolan-2-yl)purin-6-amine?
The InChIKey is IICHNZUYYJZZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN5O3/c1-22-9-4-6-23-10(9)7-17-13-12-14(20-15(16)19-13)21(8-18-12)11-3-2-5-24-11/h4,6,8,11H,2-3,5,7H2,1H3,(H,17,19,20).
What are the key properties of 2-fluoro-N-[(3-methoxyfuran-2-yl)methyl]-9-(oxolan-2-yl)purin-6-amine?
2-fluoro-N-[(3-methoxyfuran-2-yl)methyl]-9-(oxolan-2-yl)purin-6-amine has a molecular weight of 333.32 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(3-methoxyfuran-2-yl)methyl]-9-(oxolan-2-yl)purin-6-amine is sourced from PubChem (CID 162440952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).