4-[2-(3-fluorophenyl)ethyl]-2-[(1S)-1-phenylethyl]imino-1,3-dihydro-1,3,5-triazine-4,6-diamine

C19H23FN6 — CID 150227954

IUPAC4-[2-(3-fluorophenyl)ethyl]-2-[(1S)-1-phenylethyl]imino-1,3-dihydro-1,3,5-triazine-4,6-diamine
SMILESC[C@H](/N=C1\NC(N)=NC(N)(CCc2cccc(F)c2)N1)c1ccccc1
InChIInChI=1S/C19H23FN6/c1-13(15-7-3-2-4-8-15)23-18-24-17(21)25-19(22,26-18)11-10-14-6-5-9-16(20)12-14/h2-9,12-13H,10-11,22H2,1H3,(H4,21,23,24,25,26)/t13-,19?/m0/s1
InChIKeyFUWFABDNWJWTRF-YTJLLHSVSA-N
MW354.43 g/mol
LogP2.00
Rot. Bonds5

About 4-[2-(3-fluorophenyl)ethyl]-2-[(1S)-1-phenylethyl]imino-1,3-dihydro-1,3,5-triazine-4,6-diamine

4-[2-(3-fluorophenyl)ethyl]-2-[(1S)-1-phenylethyl]imino-1,3-dihydro-1,3,5-triazine-4,6-diamine (PubChem CID 150227954) has the molecular formula C19H23FN6 and a molecular weight of 354.43 g/mol. Its IUPAC name is 4-[2-(3-fluorophenyl)ethyl]-2-[(1S)-1-phenylethyl]imino-1,3-dihydro-1,3,5-triazine-4,6-diamine.

Molecular Properties

Compound Name4-[2-(3-fluorophenyl)ethyl]-2-[(1S)-1-phenylethyl]imino-1,3-dihydro-1,3,5-triazine-4,6-diamine
PubChem CID150227954
Molecular FormulaC19H23FN6
Molecular Weight354.43 g/mol
Exact Mass354.20
IUPAC Name4-[2-(3-fluorophenyl)ethyl]-2-[(1S)-1-phenylethyl]imino-1,3-dihydro-1,3,5-triazine-4,6-diamine
SMILESC[C@H](/N=C1\NC(N)=NC(N)(CCc2cccc(F)c2)N1)c1ccccc1
InChIInChI=1S/C19H23FN6/c1-13(15-7-3-2-4-8-15)23-18-24-17(21)25-19(22,26-18)11-10-14-6-5-9-16(20)12-14/h2-9,12-13H,10-11,22H2,1H3,(H4,21,23,24,25,26)/t13-,19?/m0/s1
InChIKeyFUWFABDNWJWTRF-YTJLLHSVSA-N
XLogP2.00
TPSA100.82 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 52.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-[2-(4-chlorophenyl)ethyl]-2-[(1S)-1-phenylethyl]imino-1,3-dihydro-1,3,5-triazine-4,6-diamine
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1-(3-fluorophenyl)-N-methyl-N-(2-phenylethyl)ethane-1,2-diamine
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CID 174588625
2-(3-fluorophenyl)-1-phenylethanamine;hydrochloride
CID 25032833
5-[2-(3-fluorophenyl)ethyl]-5-methylimidazolidine-2,4-dione
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1-[2-(3-fluorophenyl)ethyl]-1-methylhydrazine
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CID 15014589
4-(3-fluorophenyl)-5-propan-2-yl-1H-pyrazol-3-amine
CID 43157693

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-fluorophenyl)ethyl]-2-[(1S)-1-phenylethyl]imino-1,3-dihydro-1,3,5-triazine-4,6-diamine?
The IUPAC name of 4-[2-(3-fluorophenyl)ethyl]-2-[(1S)-1-phenylethyl]imino-1,3-dihydro-1,3,5-triazine-4,6-diamine (CID 150227954) is 4-[2-(3-fluorophenyl)ethyl]-2-[(1S)-1-phenylethyl]imino-1,3-dihydro-1,3,5-triazine-4,6-diamine.
What is the SMILES notation for 4-[2-(3-fluorophenyl)ethyl]-2-[(1S)-1-phenylethyl]imino-1,3-dihydro-1,3,5-triazine-4,6-diamine?
The canonical SMILES for 4-[2-(3-fluorophenyl)ethyl]-2-[(1S)-1-phenylethyl]imino-1,3-dihydro-1,3,5-triazine-4,6-diamine is C[C@H](/N=C1\NC(N)=NC(N)(CCc2cccc(F)c2)N1)c1ccccc1.
What is the InChIKey of 4-[2-(3-fluorophenyl)ethyl]-2-[(1S)-1-phenylethyl]imino-1,3-dihydro-1,3,5-triazine-4,6-diamine?
The InChIKey is FUWFABDNWJWTRF-YTJLLHSVSA-N. The full InChI is InChI=1S/C19H23FN6/c1-13(15-7-3-2-4-8-15)23-18-24-17(21)25-19(22,26-18)11-10-14-6-5-9-16(20)12-14/h2-9,12-13H,10-11,22H2,1H3,(H4,21,23,24,25,26)/t13-,19?/m0/s1.
What are the key properties of 4-[2-(3-fluorophenyl)ethyl]-2-[(1S)-1-phenylethyl]imino-1,3-dihydro-1,3,5-triazine-4,6-diamine?
4-[2-(3-fluorophenyl)ethyl]-2-[(1S)-1-phenylethyl]imino-1,3-dihydro-1,3,5-triazine-4,6-diamine has a molecular weight of 354.43 g/mol, XLogP of 2.00, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-fluorophenyl)ethyl]-2-[(1S)-1-phenylethyl]imino-1,3-dihydro-1,3,5-triazine-4,6-diamine is sourced from PubChem (CID 150227954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).