2-fluoro-N-[(4-fluorophenyl)methyl]-9-(oxetan-2-yl)purin-6-amine

C15H13F2N5O — CID 162441059

IUPAC2-fluoro-N-[(4-fluorophenyl)methyl]-9-(oxetan-2-yl)purin-6-amine
SMILESFc1ccc(CNc2nc(F)nc3c2ncn3C2CCO2)cc1
InChIInChI=1S/C15H13F2N5O/c16-10-3-1-9(2-4-10)7-18-13-12-14(21-15(17)20-13)22(8-19-12)11-5-6-23-11/h1-4,8,11H,5-7H2,(H,18,20,21)
InChIKeyMVAVRRCWMZTDTB-UHFFFAOYSA-N
MW317.30 g/mol
LogP2.64
Rot. Bonds4

About 2-fluoro-N-[(4-fluorophenyl)methyl]-9-(oxetan-2-yl)purin-6-amine

2-fluoro-N-[(4-fluorophenyl)methyl]-9-(oxetan-2-yl)purin-6-amine (PubChem CID 162441059) has the molecular formula C15H13F2N5O and a molecular weight of 317.30 g/mol. Its IUPAC name is 2-fluoro-N-[(4-fluorophenyl)methyl]-9-(oxetan-2-yl)purin-6-amine.

Molecular Properties

Compound Name2-fluoro-N-[(4-fluorophenyl)methyl]-9-(oxetan-2-yl)purin-6-amine
PubChem CID162441059
Molecular FormulaC15H13F2N5O
Molecular Weight317.30 g/mol
Exact Mass317.11
IUPAC Name2-fluoro-N-[(4-fluorophenyl)methyl]-9-(oxetan-2-yl)purin-6-amine
SMILESFc1ccc(CNc2nc(F)nc3c2ncn3C2CCO2)cc1
InChIInChI=1S/C15H13F2N5O/c16-10-3-1-9(2-4-10)7-18-13-12-14(21-15(17)20-13)22(8-19-12)11-5-6-23-11/h1-4,8,11H,5-7H2,(H,18,20,21)
InChIKeyMVAVRRCWMZTDTB-UHFFFAOYSA-N
XLogP2.64
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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-[(3,4,5-trifluorophenyl)methyl]purin-6-amine
CID 162441159
2-fluoro-N-[(5-methylfuran-2-yl)methyl]-9-(oxetan-2-yl)purin-6-amine
CID 162440928
2-chloro-5-[[[2-fluoro-9-(oxan-2-yl)purin-6-yl]amino]methyl]phenol
CID 162441132
2-fluoro-9-(oxan-2-yl)-N-[(2,3,6-trifluorophenyl)methyl]purin-6-amine
CID 162441138
2-fluoro-N-[(3-methoxyphenyl)methyl]-9-(oxolan-2-yl)purin-6-amine
CID 162441030
N-benzyl-9-cyclopentyl-2-fluoropurin-6-amine
CID 118671240
5-[[[2-fluoro-9-(oxepan-2-yl)purin-6-yl]amino]methyl]-2-methoxyphenol
CID 162440956
2-fluoro-N-[(2-methylphenyl)methyl]-9-(oxan-2-yl)purin-6-amine
CID 162441039
2-[[[2-fluoro-9-(oxan-2-yl)purin-6-yl]amino]methyl]benzene-1,4-diol
CID 162440960
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-[(4-fluorophenyl)methyl]-9-(oxetan-2-yl)purin-6-amine?
The IUPAC name of 2-fluoro-N-[(4-fluorophenyl)methyl]-9-(oxetan-2-yl)purin-6-amine (CID 162441059) is 2-fluoro-N-[(4-fluorophenyl)methyl]-9-(oxetan-2-yl)purin-6-amine.
What is the SMILES notation for 2-fluoro-N-[(4-fluorophenyl)methyl]-9-(oxetan-2-yl)purin-6-amine?
The canonical SMILES for 2-fluoro-N-[(4-fluorophenyl)methyl]-9-(oxetan-2-yl)purin-6-amine is Fc1ccc(CNc2nc(F)nc3c2ncn3C2CCO2)cc1.
What is the InChIKey of 2-fluoro-N-[(4-fluorophenyl)methyl]-9-(oxetan-2-yl)purin-6-amine?
The InChIKey is MVAVRRCWMZTDTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N5O/c16-10-3-1-9(2-4-10)7-18-13-12-14(21-15(17)20-13)22(8-19-12)11-5-6-23-11/h1-4,8,11H,5-7H2,(H,18,20,21).
What are the key properties of 2-fluoro-N-[(4-fluorophenyl)methyl]-9-(oxetan-2-yl)purin-6-amine?
2-fluoro-N-[(4-fluorophenyl)methyl]-9-(oxetan-2-yl)purin-6-amine has a molecular weight of 317.30 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(4-fluorophenyl)methyl]-9-(oxetan-2-yl)purin-6-amine is sourced from PubChem (CID 162441059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).