2-chloro-5-[[[2-fluoro-9-(oxan-2-yl)purin-6-yl]amino]methyl]phenol

C17H17ClFN5O2 — CID 162441132

IUPAC2-chloro-5-[[[2-fluoro-9-(oxan-2-yl)purin-6-yl]amino]methyl]phenol
SMILESOc1cc(CNc2nc(F)nc3c2ncn3C2CCCCO2)ccc1Cl
InChIInChI=1S/C17H17ClFN5O2/c18-11-5-4-10(7-12(11)25)8-20-15-14-16(23-17(19)22-15)24(9-21-14)13-3-1-2-6-26-13/h4-5,7,9,13,25H,1-3,6,8H2,(H,20,22,23)
InChIKeyKSVDLSPIOZTVON-UHFFFAOYSA-N
MW377.81 g/mol
LogP3.64
Rot. Bonds4

About 2-chloro-5-[[[2-fluoro-9-(oxan-2-yl)purin-6-yl]amino]methyl]phenol

2-chloro-5-[[[2-fluoro-9-(oxan-2-yl)purin-6-yl]amino]methyl]phenol (PubChem CID 162441132) has the molecular formula C17H17ClFN5O2 and a molecular weight of 377.81 g/mol. Its IUPAC name is 2-chloro-5-[[[2-fluoro-9-(oxan-2-yl)purin-6-yl]amino]methyl]phenol.

Molecular Properties

Compound Name2-chloro-5-[[[2-fluoro-9-(oxan-2-yl)purin-6-yl]amino]methyl]phenol
PubChem CID162441132
Molecular FormulaC17H17ClFN5O2
Molecular Weight377.81 g/mol
Exact Mass377.11
IUPAC Name2-chloro-5-[[[2-fluoro-9-(oxan-2-yl)purin-6-yl]amino]methyl]phenol
SMILESOc1cc(CNc2nc(F)nc3c2ncn3C2CCCCO2)ccc1Cl
InChIInChI=1S/C17H17ClFN5O2/c18-11-5-4-10(7-12(11)25)8-20-15-14-16(23-17(19)22-15)24(9-21-14)13-3-1-2-6-26-13/h4-5,7,9,13,25H,1-3,6,8H2,(H,20,22,23)
InChIKeyKSVDLSPIOZTVON-UHFFFAOYSA-N
XLogP3.64
TPSA85.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.81
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-chloro-5-[[[2-fluoro-9-(oxan-2-yl)purin-6-yl]amino]methyl]phenol with MolForge

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Related Compounds

5-[[[2-fluoro-9-(oxepan-2-yl)purin-6-yl]amino]methyl]-2-methoxyphenol
CID 162440956
2-fluoro-9-(oxan-2-yl)-N-[(3,4,5-trifluorophenyl)methyl]purin-6-amine
CID 162441159
2-[[[2-fluoro-9-(oxan-2-yl)purin-6-yl]amino]methyl]benzene-1,4-diol
CID 162440960
2-chloro-4-[[[9-(oxan-2-yl)purin-6-yl]amino]methyl]phenol
CID 53390775
2-fluoro-N-[(4-fluorophenyl)methyl]-9-(oxetan-2-yl)purin-6-amine
CID 162441059
methyl 3-[[[2-fluoro-9-(oxepan-2-yl)purin-6-yl]amino]methyl]benzoate
CID 162440885
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-[(3-bromophenyl)methyl]-2-fluoro-9-(oxetan-2-yl)purin-6-amine
CID 162441026
2-fluoro-N-[(2-methylphenyl)methyl]-9-(oxan-2-yl)purin-6-amine
CID 162441039
2-fluoro-N-[(3-methoxyphenyl)methyl]-9-(oxetan-2-yl)purin-6-amine
CID 162441151
2-fluoro-N-(3-methylbut-3-enyl)-9-(oxepan-2-yl)purin-6-amine
CID 162440855

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[[[2-fluoro-9-(oxan-2-yl)purin-6-yl]amino]methyl]phenol?
The IUPAC name of 2-chloro-5-[[[2-fluoro-9-(oxan-2-yl)purin-6-yl]amino]methyl]phenol (CID 162441132) is 2-chloro-5-[[[2-fluoro-9-(oxan-2-yl)purin-6-yl]amino]methyl]phenol.
What is the SMILES notation for 2-chloro-5-[[[2-fluoro-9-(oxan-2-yl)purin-6-yl]amino]methyl]phenol?
The canonical SMILES for 2-chloro-5-[[[2-fluoro-9-(oxan-2-yl)purin-6-yl]amino]methyl]phenol is Oc1cc(CNc2nc(F)nc3c2ncn3C2CCCCO2)ccc1Cl.
What is the InChIKey of 2-chloro-5-[[[2-fluoro-9-(oxan-2-yl)purin-6-yl]amino]methyl]phenol?
The InChIKey is KSVDLSPIOZTVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFN5O2/c18-11-5-4-10(7-12(11)25)8-20-15-14-16(23-17(19)22-15)24(9-21-14)13-3-1-2-6-26-13/h4-5,7,9,13,25H,1-3,6,8H2,(H,20,22,23).
What are the key properties of 2-chloro-5-[[[2-fluoro-9-(oxan-2-yl)purin-6-yl]amino]methyl]phenol?
2-chloro-5-[[[2-fluoro-9-(oxan-2-yl)purin-6-yl]amino]methyl]phenol has a molecular weight of 377.81 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[[[2-fluoro-9-(oxan-2-yl)purin-6-yl]amino]methyl]phenol is sourced from PubChem (CID 162441132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).