N-(3,5-difluorophenyl)-7H-purin-6-amine

C11H7F2N5 — CID 69242091

IUPACN-(3,5-difluorophenyl)-7H-purin-6-amine
SMILESFc1cc(F)cc(Nc2ncnc3nc[nH]c23)c1
InChIInChI=1S/C11H7F2N5/c12-6-1-7(13)3-8(2-6)18-11-9-10(15-4-14-9)16-5-17-11/h1-5H,(H2,14,15,16,17,18)
InChIKeySFYZYUGAQTZJIW-UHFFFAOYSA-N
MW247.21 g/mol
LogP2.37
Rot. Bonds2

About N-(3,5-difluorophenyl)-7H-purin-6-amine

N-(3,5-difluorophenyl)-7H-purin-6-amine (PubChem CID 69242091) has the molecular formula C11H7F2N5 and a molecular weight of 247.21 g/mol. Its IUPAC name is N-(3,5-difluorophenyl)-7H-purin-6-amine.

Molecular Properties

Compound NameN-(3,5-difluorophenyl)-7H-purin-6-amine
PubChem CID69242091
Molecular FormulaC11H7F2N5
Molecular Weight247.21 g/mol
Exact Mass247.07
IUPAC NameN-(3,5-difluorophenyl)-7H-purin-6-amine
SMILESFc1cc(F)cc(Nc2ncnc3nc[nH]c23)c1
InChIInChI=1S/C11H7F2N5/c12-6-1-7(13)3-8(2-6)18-11-9-10(15-4-14-9)16-5-17-11/h1-5H,(H2,14,15,16,17,18)
InChIKeySFYZYUGAQTZJIW-UHFFFAOYSA-N
XLogP2.37
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.21
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-dibromo-4-fluorophenyl)-7H-purin-6-amine
CID 69239287
N-[2-(trifluoromethyl)-4-pyridinyl]-7H-purin-6-amine
CID 164805836
N-(2,3,4-trifluorophenyl)-7H-purin-6-amine
CID 69242349
N-(3-chloro-4-methylphenyl)-7H-purin-6-amine
CID 2155036
N-(2-fluoro-4-methylphenyl)-7H-purin-6-amine
CID 69242792
N-(7H-purin-6-yl)hydroxylamine
CID 21876
4-(7H-purin-6-ylamino)benzenesulfonic acid
CID 22147127
N-[3-chloro-4-(trifluoromethoxy)phenyl]-7H-purin-6-amine
CID 69241710
iodomethane;N-methyl-7H-purin-6-amine
CID 142609463
3-[4-(7H-purin-6-ylamino)phenyl]-4,5-dihydro-1H-pyridazin-6-one
CID 118478772
N-ethynyl-7H-purin-6-amine
CID 149150295
N-(trideuteriomethyl)-7H-purin-6-amine
CID 169443443

Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluorophenyl)-7H-purin-6-amine?
The IUPAC name of N-(3,5-difluorophenyl)-7H-purin-6-amine (CID 69242091) is N-(3,5-difluorophenyl)-7H-purin-6-amine.
What is the SMILES notation for N-(3,5-difluorophenyl)-7H-purin-6-amine?
The canonical SMILES for N-(3,5-difluorophenyl)-7H-purin-6-amine is Fc1cc(F)cc(Nc2ncnc3nc[nH]c23)c1.
What is the InChIKey of N-(3,5-difluorophenyl)-7H-purin-6-amine?
The InChIKey is SFYZYUGAQTZJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F2N5/c12-6-1-7(13)3-8(2-6)18-11-9-10(15-4-14-9)16-5-17-11/h1-5H,(H2,14,15,16,17,18).
What are the key properties of N-(3,5-difluorophenyl)-7H-purin-6-amine?
N-(3,5-difluorophenyl)-7H-purin-6-amine has a molecular weight of 247.21 g/mol, XLogP of 2.37, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluorophenyl)-7H-purin-6-amine is sourced from PubChem (CID 69242091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).