N-(2,2-difluoroethyl)-7H-purin-6-amine

C7H7F2N5 — CID 79098846

IUPACN-(2,2-difluoroethyl)-7H-purin-6-amine
SMILESFC(F)CNc1ncnc2nc[nH]c12
InChIInChI=1S/C7H7F2N5/c8-4(9)1-10-6-5-7(12-2-11-5)14-3-13-6/h2-4H,1H2,(H2,10,11,12,13,14)
InChIKeyKPMDMRXIKIEBDT-UHFFFAOYSA-N
MW199.16 g/mol
LogP1.03
Rot. Bonds3

About N-(2,2-difluoroethyl)-7H-purin-6-amine

N-(2,2-difluoroethyl)-7H-purin-6-amine (PubChem CID 79098846) has the molecular formula C7H7F2N5 and a molecular weight of 199.16 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-7H-purin-6-amine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-7H-purin-6-amine
PubChem CID79098846
Molecular FormulaC7H7F2N5
Molecular Weight199.16 g/mol
Exact Mass199.07
IUPAC NameN-(2,2-difluoroethyl)-7H-purin-6-amine
SMILESFC(F)CNc1ncnc2nc[nH]c12
InChIInChI=1S/C7H7F2N5/c8-4(9)1-10-6-5-7(12-2-11-5)14-3-13-6/h2-4H,1H2,(H2,10,11,12,13,14)
InChIKeyKPMDMRXIKIEBDT-UHFFFAOYSA-N
XLogP1.03
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.16
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-1-(7H-purin-6-ylamino)butan-2-ol
CID 5042339
(7H-purin-6-ylamino)methanol
CID 86209273
2-methyl-N-(7H-purin-6-yl)butane-1,4-diamine
CID 66109410
N-[[4-(difluoromethyl)phenyl]methyl]-7H-purin-6-amine
CID 133474798
2-[(7H-purin-6-ylamino)methyl]butanoic acid
CID 65226734
N'-propan-2-yl-N-(7H-purin-6-yl)ethane-1,2-diamine
CID 62664479
N-[2-(4-methylpiperazin-1-yl)propyl]-7H-purin-6-amine
CID 133301517
N-butyl-7H-purin-6-amine;ethane
CID 154667457
N-(7H-purin-6-yl)hydroxylamine
CID 21876
N-[(2,6-difluorophenyl)methyl]-7H-purin-6-amine
CID 69240317
2,2-dimethyl-4-(7H-purin-6-ylamino)butanoic acid
CID 114285512
N-(2,2-dimethoxypropyl)-7H-purin-6-amine
CID 139625079

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-7H-purin-6-amine?
The IUPAC name of N-(2,2-difluoroethyl)-7H-purin-6-amine (CID 79098846) is N-(2,2-difluoroethyl)-7H-purin-6-amine.
What is the SMILES notation for N-(2,2-difluoroethyl)-7H-purin-6-amine?
The canonical SMILES for N-(2,2-difluoroethyl)-7H-purin-6-amine is FC(F)CNc1ncnc2nc[nH]c12.
What is the InChIKey of N-(2,2-difluoroethyl)-7H-purin-6-amine?
The InChIKey is KPMDMRXIKIEBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2N5/c8-4(9)1-10-6-5-7(12-2-11-5)14-3-13-6/h2-4H,1H2,(H2,10,11,12,13,14).
What are the key properties of N-(2,2-difluoroethyl)-7H-purin-6-amine?
N-(2,2-difluoroethyl)-7H-purin-6-amine has a molecular weight of 199.16 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-7H-purin-6-amine is sourced from PubChem (CID 79098846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).