N-[[4-(difluoromethyl)phenyl]methyl]-7H-purin-6-amine

C13H11F2N5 — CID 133474798

IUPACN-[[4-(difluoromethyl)phenyl]methyl]-7H-purin-6-amine
SMILESFC(F)c1ccc(CNc2ncnc3nc[nH]c23)cc1
InChIInChI=1S/C13H11F2N5/c14-11(15)9-3-1-8(2-4-9)5-16-12-10-13(18-6-17-10)20-7-19-12/h1-4,6-7,11H,5H2,(H2,16,17,18,19,20)
InChIKeyHGKFMACZOIULMC-UHFFFAOYSA-N
MW275.26 g/mol
LogP2.90
Rot. Bonds4

About N-[[4-(difluoromethyl)phenyl]methyl]-7H-purin-6-amine

N-[[4-(difluoromethyl)phenyl]methyl]-7H-purin-6-amine (PubChem CID 133474798) has the molecular formula C13H11F2N5 and a molecular weight of 275.26 g/mol. Its IUPAC name is N-[[4-(difluoromethyl)phenyl]methyl]-7H-purin-6-amine.

Molecular Properties

Compound NameN-[[4-(difluoromethyl)phenyl]methyl]-7H-purin-6-amine
PubChem CID133474798
Molecular FormulaC13H11F2N5
Molecular Weight275.26 g/mol
Exact Mass275.10
IUPAC NameN-[[4-(difluoromethyl)phenyl]methyl]-7H-purin-6-amine
SMILESFC(F)c1ccc(CNc2ncnc3nc[nH]c23)cc1
InChIInChI=1S/C13H11F2N5/c14-11(15)9-3-1-8(2-4-9)5-16-12-10-13(18-6-17-10)20-7-19-12/h1-4,6-7,11H,5H2,(H2,16,17,18,19,20)
InChIKeyHGKFMACZOIULMC-UHFFFAOYSA-N
XLogP2.90
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[4-(difluoromethyl)phenyl]methyl]-7H-purin-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-propan-2-ylphenyl)methyl]-7H-purin-6-amine
CID 61397737
N-[[4-(propan-2-yloxymethyl)phenyl]methyl]-7H-purin-6-amine
CID 94432722
N-[(6-methyl-3-pyridinyl)methyl]-7H-purin-6-amine
CID 60965843
N-(2,2-difluoroethyl)-7H-purin-6-amine
CID 79098846
N-[(3,5-dimethylphenyl)methyl]-7H-purin-6-amine
CID 58205175
N-[(3,4-dimethoxyphenyl)methyl]-7H-purin-6-amine
CID 11529329
N-benzyl-7H-purin-6-amine;7H-purine
CID 70256184
N-[(2,6-difluorophenyl)methyl]-7H-purin-6-amine
CID 69240317
N-cyclopropyl-4-[(7H-purin-6-ylamino)methyl]benzamide
CID 47072892
2-[(7H-purin-6-ylamino)methyl]benzene-1,3-diol
CID 69242881
N-[(3-methylsulfanylphenyl)methyl]-7H-purin-6-amine
CID 39840813
(7H-purin-6-ylamino)methanol
CID 86209273

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethyl)phenyl]methyl]-7H-purin-6-amine?
The IUPAC name of N-[[4-(difluoromethyl)phenyl]methyl]-7H-purin-6-amine (CID 133474798) is N-[[4-(difluoromethyl)phenyl]methyl]-7H-purin-6-amine.
What is the SMILES notation for N-[[4-(difluoromethyl)phenyl]methyl]-7H-purin-6-amine?
The canonical SMILES for N-[[4-(difluoromethyl)phenyl]methyl]-7H-purin-6-amine is FC(F)c1ccc(CNc2ncnc3nc[nH]c23)cc1.
What is the InChIKey of N-[[4-(difluoromethyl)phenyl]methyl]-7H-purin-6-amine?
The InChIKey is HGKFMACZOIULMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2N5/c14-11(15)9-3-1-8(2-4-9)5-16-12-10-13(18-6-17-10)20-7-19-12/h1-4,6-7,11H,5H2,(H2,16,17,18,19,20).
What are the key properties of N-[[4-(difluoromethyl)phenyl]methyl]-7H-purin-6-amine?
N-[[4-(difluoromethyl)phenyl]methyl]-7H-purin-6-amine has a molecular weight of 275.26 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethyl)phenyl]methyl]-7H-purin-6-amine is sourced from PubChem (CID 133474798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).