N-[(2,6-difluorophenyl)methyl]-7H-purin-6-amine

C12H9F2N5 — CID 69240317

IUPACN-[(2,6-difluorophenyl)methyl]-7H-purin-6-amine
SMILESFc1cccc(F)c1CNc1ncnc2nc[nH]c12
InChIInChI=1S/C12H9F2N5/c13-8-2-1-3-9(14)7(8)4-15-11-10-12(17-5-16-10)19-6-18-11/h1-3,5-6H,4H2,(H2,15,16,17,18,19)
InChIKeyUULDOANBEOTFRX-UHFFFAOYSA-N
MW261.24 g/mol
LogP2.24
Rot. Bonds3

About N-[(2,6-difluorophenyl)methyl]-7H-purin-6-amine

N-[(2,6-difluorophenyl)methyl]-7H-purin-6-amine (PubChem CID 69240317) has the molecular formula C12H9F2N5 and a molecular weight of 261.24 g/mol. Its IUPAC name is N-[(2,6-difluorophenyl)methyl]-7H-purin-6-amine.

Molecular Properties

Compound NameN-[(2,6-difluorophenyl)methyl]-7H-purin-6-amine
PubChem CID69240317
Molecular FormulaC12H9F2N5
Molecular Weight261.24 g/mol
Exact Mass261.08
IUPAC NameN-[(2,6-difluorophenyl)methyl]-7H-purin-6-amine
SMILESFc1cccc(F)c1CNc1ncnc2nc[nH]c12
InChIInChI=1S/C12H9F2N5/c13-8-2-1-3-9(14)7(8)4-15-11-10-12(17-5-16-10)19-6-18-11/h1-3,5-6H,4H2,(H2,15,16,17,18,19)
InChIKeyUULDOANBEOTFRX-UHFFFAOYSA-N
XLogP2.24
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(7H-purin-6-ylamino)methyl]benzene-1,3-diol
CID 69242881
3-iodo-2-[(7H-purin-6-ylamino)methyl]phenol
CID 69243142
N-[(2-amino-6-chlorophenyl)methyl]-7H-purin-6-amine
CID 69242166
N-[(3-fluoro-4-pyridinyl)methyl]-7H-purin-6-amine
CID 171679663
N-[(3-methylsulfanylphenyl)methyl]-7H-purin-6-amine
CID 39840813
N-[[4-(difluoromethyl)phenyl]methyl]-7H-purin-6-amine
CID 133474798
5-chloro-2-[(7H-purin-6-ylamino)methyl]benzene-1,3-diol
CID 69243386
N-[[3-(2-chlorophenyl)-8-fluoroquinoxalin-2-yl]methyl]-7H-purin-6-amine
CID 25071910
(7H-purin-6-ylamino)methanol
CID 86209273
3,6-dimethoxy-2-[(7H-purin-6-ylamino)methyl]phenol
CID 123171522
N-(2,2-difluoroethyl)-7H-purin-6-amine
CID 79098846
N-[2-(3-fluorophenyl)-2-methylpropyl]-7H-purin-6-amine
CID 133308417

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-difluorophenyl)methyl]-7H-purin-6-amine?
The IUPAC name of N-[(2,6-difluorophenyl)methyl]-7H-purin-6-amine (CID 69240317) is N-[(2,6-difluorophenyl)methyl]-7H-purin-6-amine.
What is the SMILES notation for N-[(2,6-difluorophenyl)methyl]-7H-purin-6-amine?
The canonical SMILES for N-[(2,6-difluorophenyl)methyl]-7H-purin-6-amine is Fc1cccc(F)c1CNc1ncnc2nc[nH]c12.
What is the InChIKey of N-[(2,6-difluorophenyl)methyl]-7H-purin-6-amine?
The InChIKey is UULDOANBEOTFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2N5/c13-8-2-1-3-9(14)7(8)4-15-11-10-12(17-5-16-10)19-6-18-11/h1-3,5-6H,4H2,(H2,15,16,17,18,19).
What are the key properties of N-[(2,6-difluorophenyl)methyl]-7H-purin-6-amine?
N-[(2,6-difluorophenyl)methyl]-7H-purin-6-amine has a molecular weight of 261.24 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-difluorophenyl)methyl]-7H-purin-6-amine is sourced from PubChem (CID 69240317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).