4-[7-(3-fluorophenyl)-1,3-dimethyl-2,8-dihydropurin-8-yl]-N,N-dimethylaniline

C21H24FN5 — CID 142711132

IUPAC4-[7-(3-fluorophenyl)-1,3-dimethyl-2,8-dihydropurin-8-yl]-N,N-dimethylaniline
SMILESCN1C=C2C(=NC(c3ccc(N(C)C)cc3)N2c2cccc(F)c2)N(C)C1
InChIInChI=1S/C21H24FN5/c1-24(2)17-10-8-15(9-11-17)20-23-21-19(13-25(3)14-26(21)4)27(20)18-7-5-6-16(22)12-18/h5-13,20H,14H2,1-4H3
InChIKeyPBQQKDCZJIPFMR-UHFFFAOYSA-N
MW365.46 g/mol
LogP3.49
Rot. Bonds3

About 4-[7-(3-fluorophenyl)-1,3-dimethyl-2,8-dihydropurin-8-yl]-N,N-dimethylaniline

4-[7-(3-fluorophenyl)-1,3-dimethyl-2,8-dihydropurin-8-yl]-N,N-dimethylaniline (PubChem CID 142711132) has the molecular formula C21H24FN5 and a molecular weight of 365.46 g/mol. Its IUPAC name is 4-[7-(3-fluorophenyl)-1,3-dimethyl-2,8-dihydropurin-8-yl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[7-(3-fluorophenyl)-1,3-dimethyl-2,8-dihydropurin-8-yl]-N,N-dimethylaniline
PubChem CID142711132
Molecular FormulaC21H24FN5
Molecular Weight365.46 g/mol
Exact Mass365.20
IUPAC Name4-[7-(3-fluorophenyl)-1,3-dimethyl-2,8-dihydropurin-8-yl]-N,N-dimethylaniline
SMILESCN1C=C2C(=NC(c3ccc(N(C)C)cc3)N2c2cccc(F)c2)N(C)C1
InChIInChI=1S/C21H24FN5/c1-24(2)17-10-8-15(9-11-17)20-23-21-19(13-25(3)14-26(21)4)27(20)18-7-5-6-16(22)12-18/h5-13,20H,14H2,1-4H3
InChIKeyPBQQKDCZJIPFMR-UHFFFAOYSA-N
XLogP3.49
TPSA25.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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10-(4-Fluorobenzyl)-2,3,4,10-tetrahydropyrimido[1,2-a]benzimidazole hydrochloride
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1-(4-Methylphenyl)-6-phenyl-1,6-dihydro-1,3,5-triazine-2,4-diamine hydrochloride
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1-[2-(4-fluorophenyl)ethyl]-N-phenyl-4,5-dihydroimidazol-2-amine
CID 25102532
1-[2-(3-fluorophenyl)ethyl]-N-phenyl-4,5-dihydroimidazol-2-amine
CID 25102570
[(5S)-1-[2-(3-fluorophenyl)ethyl]-5-isobutyl-2-imidazolin-2-yl]-phenyl-amine
CID 42601152
N-pentyl-4-[4-[4-(N-pentylcarbamimidoyl)phenyl]piperazin-1-yl]benzamidine
CID 3013104
N-hexyl-4-[4-[4-(N-hexylcarbamimidoyl)phenyl]piperazin-1-yl]benzamidine
CID 3013105
N-ethyl-4-[4-[4-(N-ethylcarbamimidoyl)phenyl]piperazin-1-yl]benzamidine
CID 3013118
N-methyl-4-[4-[4-(N-methylcarbamimidoyl)phenyl]piperazin-1-yl]benzamidine
CID 3013120
N-propyl-4-[4-[4-(N-propylcarbamimidoyl)phenyl]piperazin-1-yl]benzamidine
CID 3013121

Frequently Asked Questions

What is the IUPAC name of 4-[7-(3-fluorophenyl)-1,3-dimethyl-2,8-dihydropurin-8-yl]-N,N-dimethylaniline?
The IUPAC name of 4-[7-(3-fluorophenyl)-1,3-dimethyl-2,8-dihydropurin-8-yl]-N,N-dimethylaniline (CID 142711132) is 4-[7-(3-fluorophenyl)-1,3-dimethyl-2,8-dihydropurin-8-yl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[7-(3-fluorophenyl)-1,3-dimethyl-2,8-dihydropurin-8-yl]-N,N-dimethylaniline?
The canonical SMILES for 4-[7-(3-fluorophenyl)-1,3-dimethyl-2,8-dihydropurin-8-yl]-N,N-dimethylaniline is CN1C=C2C(=NC(c3ccc(N(C)C)cc3)N2c2cccc(F)c2)N(C)C1.
What is the InChIKey of 4-[7-(3-fluorophenyl)-1,3-dimethyl-2,8-dihydropurin-8-yl]-N,N-dimethylaniline?
The InChIKey is PBQQKDCZJIPFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN5/c1-24(2)17-10-8-15(9-11-17)20-23-21-19(13-25(3)14-26(21)4)27(20)18-7-5-6-16(22)12-18/h5-13,20H,14H2,1-4H3.
What are the key properties of 4-[7-(3-fluorophenyl)-1,3-dimethyl-2,8-dihydropurin-8-yl]-N,N-dimethylaniline?
4-[7-(3-fluorophenyl)-1,3-dimethyl-2,8-dihydropurin-8-yl]-N,N-dimethylaniline has a molecular weight of 365.46 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(3-fluorophenyl)-1,3-dimethyl-2,8-dihydropurin-8-yl]-N,N-dimethylaniline is sourced from PubChem (CID 142711132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).