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

C14H13F2N5 — CID 70491805

IUPAC2-[(2,6-difluorophenyl)methyl]-N,N-dimethyl-7H-purin-6-amine
SMILESCN(C)c1nc(Cc2c(F)cccc2F)nc2nc[nH]c12
InChIInChI=1S/C14H13F2N5/c1-21(2)14-12-13(18-7-17-12)19-11(20-14)6-8-9(15)4-3-5-10(8)16/h3-5,7H,6H2,1-2H3,(H,17,18,19,20)
InChIKeyRKISGZOGHMHEGM-UHFFFAOYSA-N
MW289.29 g/mol
LogP2.29
Rot. Bonds3

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

2-[(2,6-difluorophenyl)methyl]-N,N-dimethyl-7H-purin-6-amine (PubChem CID 70491805) has the molecular formula C14H13F2N5 and a molecular weight of 289.29 g/mol. Its IUPAC name is 2-[(2,6-difluorophenyl)methyl]-N,N-dimethyl-7H-purin-6-amine.

Molecular Properties

Compound Name2-[(2,6-difluorophenyl)methyl]-N,N-dimethyl-7H-purin-6-amine
PubChem CID70491805
Molecular FormulaC14H13F2N5
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC Name2-[(2,6-difluorophenyl)methyl]-N,N-dimethyl-7H-purin-6-amine
SMILESCN(C)c1nc(Cc2c(F)cccc2F)nc2nc[nH]c12
InChIInChI=1S/C14H13F2N5/c1-21(2)14-12-13(18-7-17-12)19-11(20-14)6-8-9(15)4-3-5-10(8)16/h3-5,7H,6H2,1-2H3,(H,17,18,19,20)
InChIKeyRKISGZOGHMHEGM-UHFFFAOYSA-N
XLogP2.29
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-difluorophenyl)methyl]-N,N-dimethyl-7H-purin-6-amine?
The IUPAC name of 2-[(2,6-difluorophenyl)methyl]-N,N-dimethyl-7H-purin-6-amine (CID 70491805) is 2-[(2,6-difluorophenyl)methyl]-N,N-dimethyl-7H-purin-6-amine.
What is the SMILES notation for 2-[(2,6-difluorophenyl)methyl]-N,N-dimethyl-7H-purin-6-amine?
The canonical SMILES for 2-[(2,6-difluorophenyl)methyl]-N,N-dimethyl-7H-purin-6-amine is CN(C)c1nc(Cc2c(F)cccc2F)nc2nc[nH]c12.
What is the InChIKey of 2-[(2,6-difluorophenyl)methyl]-N,N-dimethyl-7H-purin-6-amine?
The InChIKey is RKISGZOGHMHEGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2N5/c1-21(2)14-12-13(18-7-17-12)19-11(20-14)6-8-9(15)4-3-5-10(8)16/h3-5,7H,6H2,1-2H3,(H,17,18,19,20).
What are the key properties of 2-[(2,6-difluorophenyl)methyl]-N,N-dimethyl-7H-purin-6-amine?
2-[(2,6-difluorophenyl)methyl]-N,N-dimethyl-7H-purin-6-amine has a molecular weight of 289.29 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-difluorophenyl)methyl]-N,N-dimethyl-7H-purin-6-amine is sourced from PubChem (CID 70491805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).