8-(difluoromethyl)-9-ethylpurine

C8H8F2N4 — CID 151985967

IUPAC8-(difluoromethyl)-9-ethylpurine
SMILESCCn1c(C(F)F)nc2cncnc21
InChIInChI=1S/C8H8F2N4/c1-2-14-7-5(3-11-4-12-7)13-8(14)6(9)10/h3-4,6H,2H2,1H3
InChIKeyUDQPUNULVPCCAH-UHFFFAOYSA-N
MW198.18 g/mol
LogP1.78
Rot. Bonds2

About 8-(difluoromethyl)-9-ethylpurine

8-(difluoromethyl)-9-ethylpurine (PubChem CID 151985967) has the molecular formula C8H8F2N4 and a molecular weight of 198.18 g/mol. Its IUPAC name is 8-(difluoromethyl)-9-ethylpurine.

Molecular Properties

Compound Name8-(difluoromethyl)-9-ethylpurine
PubChem CID151985967
Molecular FormulaC8H8F2N4
Molecular Weight198.18 g/mol
Exact Mass198.07
IUPAC Name8-(difluoromethyl)-9-ethylpurine
SMILESCCn1c(C(F)F)nc2cncnc21
InChIInChI=1S/C8H8F2N4/c1-2-14-7-5(3-11-4-12-7)13-8(14)6(9)10/h3-4,6H,2H2,1H3
InChIKeyUDQPUNULVPCCAH-UHFFFAOYSA-N
XLogP1.78
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-Ethyladenine
CID 7
9-Propyl-9h-purin-6-amine
CID 247436
2-chloro-9-methyl-9H-purine
CID 7147173
[2-(Purin-9-yl)ethyl]-bisphosphonic acid
CID 25140171
9-Butyl-9H-purin-6-amine
CID 75929
N,N,9-Trimethyl-9H-purin-6-amine
CID 221105
9-isopropyl-9H-purin-6-amine
CID 414707
9-(sec-Butyl)-9H-adenine
CID 44572293
7-Ethyl-7h-purin-6-amine
CID 185566
Imidazo(1,5-a)pyrazin-8-amine
CID 55276043
Dimethylaminopurine
CID 4312426
7-Isopropyl-7H-adenine
CID 23562742

Frequently Asked Questions

What is the IUPAC name of 8-(difluoromethyl)-9-ethylpurine?
The IUPAC name of 8-(difluoromethyl)-9-ethylpurine (CID 151985967) is 8-(difluoromethyl)-9-ethylpurine.
What is the SMILES notation for 8-(difluoromethyl)-9-ethylpurine?
The canonical SMILES for 8-(difluoromethyl)-9-ethylpurine is CCn1c(C(F)F)nc2cncnc21.
What is the InChIKey of 8-(difluoromethyl)-9-ethylpurine?
The InChIKey is UDQPUNULVPCCAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N4/c1-2-14-7-5(3-11-4-12-7)13-8(14)6(9)10/h3-4,6H,2H2,1H3.
What are the key properties of 8-(difluoromethyl)-9-ethylpurine?
8-(difluoromethyl)-9-ethylpurine has a molecular weight of 198.18 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(difluoromethyl)-9-ethylpurine is sourced from PubChem (CID 151985967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).