2-fluoro-N-[(5-methylfuran-2-yl)methyl]-9-(oxetan-2-yl)purin-6-amine

C14H14FN5O2 — CID 162440928

IUPAC2-fluoro-N-[(5-methylfuran-2-yl)methyl]-9-(oxetan-2-yl)purin-6-amine
SMILESCc1ccc(CNc2nc(F)nc3c2ncn3C2CCO2)o1
InChIInChI=1S/C14H14FN5O2/c1-8-2-3-9(22-8)6-16-12-11-13(19-14(15)18-12)20(7-17-11)10-4-5-21-10/h2-3,7,10H,4-6H2,1H3,(H,16,18,19)
InChIKeyRKOCAYRURPJHKG-UHFFFAOYSA-N
MW303.30 g/mol
LogP2.40
Rot. Bonds4

About 2-fluoro-N-[(5-methylfuran-2-yl)methyl]-9-(oxetan-2-yl)purin-6-amine

2-fluoro-N-[(5-methylfuran-2-yl)methyl]-9-(oxetan-2-yl)purin-6-amine (PubChem CID 162440928) has the molecular formula C14H14FN5O2 and a molecular weight of 303.30 g/mol. Its IUPAC name is 2-fluoro-N-[(5-methylfuran-2-yl)methyl]-9-(oxetan-2-yl)purin-6-amine.

Molecular Properties

Compound Name2-fluoro-N-[(5-methylfuran-2-yl)methyl]-9-(oxetan-2-yl)purin-6-amine
PubChem CID162440928
Molecular FormulaC14H14FN5O2
Molecular Weight303.30 g/mol
Exact Mass303.11
IUPAC Name2-fluoro-N-[(5-methylfuran-2-yl)methyl]-9-(oxetan-2-yl)purin-6-amine
SMILESCc1ccc(CNc2nc(F)nc3c2ncn3C2CCO2)o1
InChIInChI=1S/C14H14FN5O2/c1-8-2-3-9(22-8)6-16-12-11-13(19-14(15)18-12)20(7-17-11)10-4-5-21-10/h2-3,7,10H,4-6H2,1H3,(H,16,18,19)
InChIKeyRKOCAYRURPJHKG-UHFFFAOYSA-N
XLogP2.40
TPSA78.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.30
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-fluoro-N-[(4-fluorophenyl)methyl]-9-(oxetan-2-yl)purin-6-amine
CID 162441059
2-fluoro-N-[(2-methylphenyl)methyl]-9-(oxan-2-yl)purin-6-amine
CID 162441039
N-[(3-bromophenyl)methyl]-2-fluoro-9-(oxetan-2-yl)purin-6-amine
CID 162441026
2-fluoro-N-[(3-methoxyphenyl)methyl]-9-(oxetan-2-yl)purin-6-amine
CID 162441151
2-fluoro-9-(oxan-2-yl)-N-[(2,3,6-trifluorophenyl)methyl]purin-6-amine
CID 162441138
2-fluoro-9-(oxan-2-yl)-N-[(3,4,5-trifluorophenyl)methyl]purin-6-amine
CID 162441159
2-fluoro-N-[(3-methoxyfuran-2-yl)methyl]-9-(oxolan-2-yl)purin-6-amine
CID 162440952
2-fluoro-N-[(3-methoxyphenyl)methyl]-9-(oxolan-2-yl)purin-6-amine
CID 162441030
2-[[[2-fluoro-9-(oxan-2-yl)purin-6-yl]amino]methyl]benzene-1,4-diol
CID 162440960
2-fluoro-N-(3-methylbut-3-enyl)-9-(oxolan-2-yl)purin-6-amine
CID 162440908
2-chloro-5-[[[2-fluoro-9-(oxan-2-yl)purin-6-yl]amino]methyl]phenol
CID 162441132
5-[[[2-fluoro-9-(oxepan-2-yl)purin-6-yl]amino]methyl]-2-methoxyphenol
CID 162440956

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(5-methylfuran-2-yl)methyl]-9-(oxetan-2-yl)purin-6-amine?
The IUPAC name of 2-fluoro-N-[(5-methylfuran-2-yl)methyl]-9-(oxetan-2-yl)purin-6-amine (CID 162440928) is 2-fluoro-N-[(5-methylfuran-2-yl)methyl]-9-(oxetan-2-yl)purin-6-amine.
What is the SMILES notation for 2-fluoro-N-[(5-methylfuran-2-yl)methyl]-9-(oxetan-2-yl)purin-6-amine?
The canonical SMILES for 2-fluoro-N-[(5-methylfuran-2-yl)methyl]-9-(oxetan-2-yl)purin-6-amine is Cc1ccc(CNc2nc(F)nc3c2ncn3C2CCO2)o1.
What is the InChIKey of 2-fluoro-N-[(5-methylfuran-2-yl)methyl]-9-(oxetan-2-yl)purin-6-amine?
The InChIKey is RKOCAYRURPJHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN5O2/c1-8-2-3-9(22-8)6-16-12-11-13(19-14(15)18-12)20(7-17-11)10-4-5-21-10/h2-3,7,10H,4-6H2,1H3,(H,16,18,19).
What are the key properties of 2-fluoro-N-[(5-methylfuran-2-yl)methyl]-9-(oxetan-2-yl)purin-6-amine?
2-fluoro-N-[(5-methylfuran-2-yl)methyl]-9-(oxetan-2-yl)purin-6-amine has a molecular weight of 303.30 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(5-methylfuran-2-yl)methyl]-9-(oxetan-2-yl)purin-6-amine is sourced from PubChem (CID 162440928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).