2,6-dichloro-9-[(3,3-difluorocyclobutyl)methyl]purine

C10H8Cl2F2N4 — CID 176909398

IUPAC2,6-dichloro-9-[(3,3-difluorocyclobutyl)methyl]purine
SMILESFC1(F)CC(Cn2cnc3c(Cl)nc(Cl)nc32)C1
InChIInChI=1S/C10H8Cl2F2N4/c11-7-6-8(17-9(12)16-7)18(4-15-6)3-5-1-10(13,14)2-5/h4-5H,1-3H2
InChIKeyUGOIBZRPNQEOES-UHFFFAOYSA-N
MW293.10 g/mol
LogP3.18
Rot. Bonds2

About 2,6-dichloro-9-[(3,3-difluorocyclobutyl)methyl]purine

2,6-dichloro-9-[(3,3-difluorocyclobutyl)methyl]purine (PubChem CID 176909398) has the molecular formula C10H8Cl2F2N4 and a molecular weight of 293.10 g/mol. Its IUPAC name is 2,6-dichloro-9-[(3,3-difluorocyclobutyl)methyl]purine.

Molecular Properties

Compound Name2,6-dichloro-9-[(3,3-difluorocyclobutyl)methyl]purine
PubChem CID176909398
Molecular FormulaC10H8Cl2F2N4
Molecular Weight293.10 g/mol
Exact Mass292.01
IUPAC Name2,6-dichloro-9-[(3,3-difluorocyclobutyl)methyl]purine
SMILESFC1(F)CC(Cn2cnc3c(Cl)nc(Cl)nc32)C1
InChIInChI=1S/C10H8Cl2F2N4/c11-7-6-8(17-9(12)16-7)18(4-15-6)3-5-1-10(13,14)2-5/h4-5H,1-3H2
InChIKeyUGOIBZRPNQEOES-UHFFFAOYSA-N
XLogP3.18
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.10
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-dichloro-7-methyl-7H-purine
CID 75281
6-Chloro-9-ethylpurine
CID 226068
6-chloro-9-(prop-2-yn-1-yl)-9H-purine
CID 257853
6-Chloro-2-iodo-9-isopropyl-9H-purine
CID 6538904
6-chloro-9-[(1R,2S,4S)-5,5-difluoro-2-bicyclo[2.2.1]heptanyl]purine
CID 46906150
6-Chloro-9-(1-chlorododecan-3-yl)purine
CID 156697626
9-(1-Azidododecan-3-yl)-6-chloropurine
CID 156697636
6-Chloro-9-cyclopentyl-9H-purin-2-ylamine
CID 23074669
6-Chloro-9-isopropyl-9H-purine
CID 414634
2,6-dichloro-9-methyl-9H-purine
CID 1712553
2,6-dichloro-9-(propan-2-yl)-9H-purine
CID 11218490
2,6-dichloro-9-ethyl-9H-purine
CID 21988325

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-9-[(3,3-difluorocyclobutyl)methyl]purine?
The IUPAC name of 2,6-dichloro-9-[(3,3-difluorocyclobutyl)methyl]purine (CID 176909398) is 2,6-dichloro-9-[(3,3-difluorocyclobutyl)methyl]purine.
What is the SMILES notation for 2,6-dichloro-9-[(3,3-difluorocyclobutyl)methyl]purine?
The canonical SMILES for 2,6-dichloro-9-[(3,3-difluorocyclobutyl)methyl]purine is FC1(F)CC(Cn2cnc3c(Cl)nc(Cl)nc32)C1.
What is the InChIKey of 2,6-dichloro-9-[(3,3-difluorocyclobutyl)methyl]purine?
The InChIKey is UGOIBZRPNQEOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2F2N4/c11-7-6-8(17-9(12)16-7)18(4-15-6)3-5-1-10(13,14)2-5/h4-5H,1-3H2.
What are the key properties of 2,6-dichloro-9-[(3,3-difluorocyclobutyl)methyl]purine?
2,6-dichloro-9-[(3,3-difluorocyclobutyl)methyl]purine has a molecular weight of 293.10 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-9-[(3,3-difluorocyclobutyl)methyl]purine is sourced from PubChem (CID 176909398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).