N-(2-fluoro-4-methylphenyl)-7H-purin-6-amine

C12H10FN5 — CID 69242792

IUPACN-(2-fluoro-4-methylphenyl)-7H-purin-6-amine
SMILESCc1ccc(Nc2ncnc3nc[nH]c23)c(F)c1
InChIInChI=1S/C12H10FN5/c1-7-2-3-9(8(13)4-7)18-12-10-11(15-5-14-10)16-6-17-12/h2-6H,1H3,(H2,14,15,16,17,18)
InChIKeyDPLRNFQIXULGOV-UHFFFAOYSA-N
MW243.25 g/mol
LogP2.54
Rot. Bonds2

About N-(2-fluoro-4-methylphenyl)-7H-purin-6-amine

N-(2-fluoro-4-methylphenyl)-7H-purin-6-amine (PubChem CID 69242792) has the molecular formula C12H10FN5 and a molecular weight of 243.25 g/mol. Its IUPAC name is N-(2-fluoro-4-methylphenyl)-7H-purin-6-amine.

Molecular Properties

Compound NameN-(2-fluoro-4-methylphenyl)-7H-purin-6-amine
PubChem CID69242792
Molecular FormulaC12H10FN5
Molecular Weight243.25 g/mol
Exact Mass243.09
IUPAC NameN-(2-fluoro-4-methylphenyl)-7H-purin-6-amine
SMILESCc1ccc(Nc2ncnc3nc[nH]c23)c(F)c1
InChIInChI=1S/C12H10FN5/c1-7-2-3-9(8(13)4-7)18-12-10-11(15-5-14-10)16-6-17-12/h2-6H,1H3,(H2,14,15,16,17,18)
InChIKeyDPLRNFQIXULGOV-UHFFFAOYSA-N
XLogP2.54
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.25
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-fluoro-4-methylphenyl)-7H-purin-6-amine;N-(2-fluoro-5-nitrophenyl)-7H-purin-6-amine
CID 69242790
N-(2-bromo-4-methylphenyl)-7H-purin-6-amine
CID 69241841
N-(2,3,4-trifluorophenyl)-7H-purin-6-amine
CID 69242349
1-N-(4-methylphenyl)-2-N-(7H-purin-6-yl)benzene-1,2-diamine
CID 108778162
N-(3,5-difluorophenyl)-7H-purin-6-amine
CID 69242091
6-(2-fluoro-5-methylphenyl)-7H-purine
CID 56859242
N-(2,5-dimethoxyphenyl)-7H-purin-6-amine
CID 756650
N-(2,6-dibromo-4-fluorophenyl)-7H-purin-6-amine
CID 69239287
N-(3-chloro-4-methylphenyl)-7H-purin-6-amine
CID 2155036
N-(7H-purin-6-yl)hydroxylamine
CID 21876
2-N-ethyl-6-N-(2-fluoro-5-methylphenyl)-7H-purine-2,6-diamine
CID 114783352
4-N-(2,4-dimethylphenyl)-6-N-(2-fluorophenyl)pyrimidine-4,5,6-triamine
CID 19143286

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-methylphenyl)-7H-purin-6-amine?
The IUPAC name of N-(2-fluoro-4-methylphenyl)-7H-purin-6-amine (CID 69242792) is N-(2-fluoro-4-methylphenyl)-7H-purin-6-amine.
What is the SMILES notation for N-(2-fluoro-4-methylphenyl)-7H-purin-6-amine?
The canonical SMILES for N-(2-fluoro-4-methylphenyl)-7H-purin-6-amine is Cc1ccc(Nc2ncnc3nc[nH]c23)c(F)c1.
What is the InChIKey of N-(2-fluoro-4-methylphenyl)-7H-purin-6-amine?
The InChIKey is DPLRNFQIXULGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN5/c1-7-2-3-9(8(13)4-7)18-12-10-11(15-5-14-10)16-6-17-12/h2-6H,1H3,(H2,14,15,16,17,18).
What are the key properties of N-(2-fluoro-4-methylphenyl)-7H-purin-6-amine?
N-(2-fluoro-4-methylphenyl)-7H-purin-6-amine has a molecular weight of 243.25 g/mol, XLogP of 2.54, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4-methylphenyl)-7H-purin-6-amine is sourced from PubChem (CID 69242792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).