6-[(2,6-dimethyl-1,4-diazepan-1-yl)methyl]-2-N-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine

C17H24FN7 — CID 167847537

IUPAC6-[(2,6-dimethyl-1,4-diazepan-1-yl)methyl]-2-N-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine
SMILESCC1CNCC(C)N(Cc2nc(N)nc(Nc3ccc(F)cc3)n2)C1
InChIInChI=1S/C17H24FN7/c1-11-7-20-8-12(2)25(9-11)10-15-22-16(19)24-17(23-15)21-14-5-3-13(18)4-6-14/h3-6,11-12,20H,7-10H2,1-2H3,(H3,19,21,22,23,24)
InChIKeyUSJXAWSDLZUTAE-UHFFFAOYSA-N
MW345.43 g/mol
LogP1.77
Rot. Bonds4

About 6-[(2,6-dimethyl-1,4-diazepan-1-yl)methyl]-2-N-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine

6-[(2,6-dimethyl-1,4-diazepan-1-yl)methyl]-2-N-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 167847537) has the molecular formula C17H24FN7 and a molecular weight of 345.43 g/mol. Its IUPAC name is 6-[(2,6-dimethyl-1,4-diazepan-1-yl)methyl]-2-N-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[(2,6-dimethyl-1,4-diazepan-1-yl)methyl]-2-N-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine
PubChem CID167847537
Molecular FormulaC17H24FN7
Molecular Weight345.43 g/mol
Exact Mass345.21
IUPAC Name6-[(2,6-dimethyl-1,4-diazepan-1-yl)methyl]-2-N-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine
SMILESCC1CNCC(C)N(Cc2nc(N)nc(Nc3ccc(F)cc3)n2)C1
InChIInChI=1S/C17H24FN7/c1-11-7-20-8-12(2)25(9-11)10-15-22-16(19)24-17(23-15)21-14-5-3-13(18)4-6-14/h3-6,11-12,20H,7-10H2,1-2H3,(H3,19,21,22,23,24)
InChIKeyUSJXAWSDLZUTAE-UHFFFAOYSA-N
XLogP1.77
TPSA91.99 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 6-[(2,6-dimethyl-1,4-diazepan-1-yl)methyl]-2-N-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

6-(azepan-1-ylmethyl)-2-N-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine
CID 753517
6-ethyl-2-N-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine
CID 142393995
1-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl]piperidin-4-ol
CID 110880190
[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl 2-methylcyclopropane-1-carboxylate
CID 47013914
2-N-(4-fluorophenyl)-6-[[2-(4-fluorophenyl)morpholin-4-yl]methyl]-1,3,5-triazine-2,4-diamine
CID 47027274
(5S,6S)-3-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 9451386
6-[(3,5-dimethylpiperidin-1-yl)methyl]-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 2952184
2-N-(4-fluorophenyl)-6-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3,5-triazine-2,4-diamine
CID 3163543
6-[[cyclohexyl(methyl)amino]methyl]-2-N-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine
CID 78820252
6-[[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-2-N-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine
CID 55432683
2-N-(4-fluorophenyl)-6-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-1,3,5-triazine-2,4-diamine
CID 38870014
1-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl]-N-(3-methylbutan-2-yl)piperidine-4-carboxamide
CID 56526559

Frequently Asked Questions

What is the IUPAC name of 6-[(2,6-dimethyl-1,4-diazepan-1-yl)methyl]-2-N-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[(2,6-dimethyl-1,4-diazepan-1-yl)methyl]-2-N-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine (CID 167847537) is 6-[(2,6-dimethyl-1,4-diazepan-1-yl)methyl]-2-N-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[(2,6-dimethyl-1,4-diazepan-1-yl)methyl]-2-N-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[(2,6-dimethyl-1,4-diazepan-1-yl)methyl]-2-N-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine is CC1CNCC(C)N(Cc2nc(N)nc(Nc3ccc(F)cc3)n2)C1.
What is the InChIKey of 6-[(2,6-dimethyl-1,4-diazepan-1-yl)methyl]-2-N-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is USJXAWSDLZUTAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN7/c1-11-7-20-8-12(2)25(9-11)10-15-22-16(19)24-17(23-15)21-14-5-3-13(18)4-6-14/h3-6,11-12,20H,7-10H2,1-2H3,(H3,19,21,22,23,24).
What are the key properties of 6-[(2,6-dimethyl-1,4-diazepan-1-yl)methyl]-2-N-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine?
6-[(2,6-dimethyl-1,4-diazepan-1-yl)methyl]-2-N-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 345.43 g/mol, XLogP of 1.77, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,6-dimethyl-1,4-diazepan-1-yl)methyl]-2-N-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 167847537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).