2-N-(3,5-dimethylphenyl)-4-N-(3-fluorophenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine

C21H23FN6 — CID 35024765

IUPAC2-N-(3,5-dimethylphenyl)-4-N-(3-fluorophenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
SMILESCc1cc(C)cc(Nc2nc(Nc3cccc(F)c3)nc(N3CCCC3)n2)c1
InChIInChI=1S/C21H23FN6/c1-14-10-15(2)12-18(11-14)24-20-25-19(23-17-7-5-6-16(22)13-17)26-21(27-20)28-8-3-4-9-28/h5-7,10-13H,3-4,8-9H2,1-2H3,(H2,23,24,25,26,27)
InChIKeyUPUPQUNPDPALFH-UHFFFAOYSA-N
MW378.46 g/mol
LogP4.71
Rot. Bonds5

About 2-N-(3,5-dimethylphenyl)-4-N-(3-fluorophenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine

2-N-(3,5-dimethylphenyl)-4-N-(3-fluorophenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine (PubChem CID 35024765) has the molecular formula C21H23FN6 and a molecular weight of 378.46 g/mol. Its IUPAC name is 2-N-(3,5-dimethylphenyl)-4-N-(3-fluorophenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3,5-dimethylphenyl)-4-N-(3-fluorophenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
PubChem CID35024765
Molecular FormulaC21H23FN6
Molecular Weight378.46 g/mol
Exact Mass378.20
IUPAC Name2-N-(3,5-dimethylphenyl)-4-N-(3-fluorophenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
SMILESCc1cc(C)cc(Nc2nc(Nc3cccc(F)c3)nc(N3CCCC3)n2)c1
InChIInChI=1S/C21H23FN6/c1-14-10-15(2)12-18(11-14)24-20-25-19(23-17-7-5-6-16(22)13-17)26-21(27-20)28-8-3-4-9-28/h5-7,10-13H,3-4,8-9H2,1-2H3,(H2,23,24,25,26,27)
InChIKeyUPUPQUNPDPALFH-UHFFFAOYSA-N
XLogP4.71
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-N-(3,5-dimethylphenyl)-4-N-(3-fluorophenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

2-N,4-N-bis(3,5-dimethylphenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 18584592
2-N-(3-fluoro-5-methylphenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80834570
4-chloro-N-(3-fluoro-5-methylphenyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 79046218
2-(azepan-1-yl)-N-(3-fluorophenyl)-6-methylpyrimidin-4-amine
CID 112926743
4-chloro-N-(3,5-dimethylphenyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 171851124
2-N-(3,5-dimethylphenyl)-4-N-phenyl-6-piperazin-1-yl-1,3,5-triazine-2,4-diamine
CID 24877203
2-N-(3-fluorophenyl)-4-N-(3-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 18580341
1-[3-[[4-(4-fluoroanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]phenyl]ethanone
CID 35024747
2-N-(3-chlorophenyl)-4-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80736345
2-N-(3-methylphenyl)-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 18580405
2-N-(3-bromophenyl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80736600
N-(3-fluorophenyl)-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112934325

Frequently Asked Questions

What is the IUPAC name of 2-N-(3,5-dimethylphenyl)-4-N-(3-fluorophenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(3,5-dimethylphenyl)-4-N-(3-fluorophenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine (CID 35024765) is 2-N-(3,5-dimethylphenyl)-4-N-(3-fluorophenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(3,5-dimethylphenyl)-4-N-(3-fluorophenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(3,5-dimethylphenyl)-4-N-(3-fluorophenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine is Cc1cc(C)cc(Nc2nc(Nc3cccc(F)c3)nc(N3CCCC3)n2)c1.
What is the InChIKey of 2-N-(3,5-dimethylphenyl)-4-N-(3-fluorophenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is UPUPQUNPDPALFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN6/c1-14-10-15(2)12-18(11-14)24-20-25-19(23-17-7-5-6-16(22)13-17)26-21(27-20)28-8-3-4-9-28/h5-7,10-13H,3-4,8-9H2,1-2H3,(H2,23,24,25,26,27).
What are the key properties of 2-N-(3,5-dimethylphenyl)-4-N-(3-fluorophenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
2-N-(3,5-dimethylphenyl)-4-N-(3-fluorophenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 378.46 g/mol, XLogP of 4.71, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3,5-dimethylphenyl)-4-N-(3-fluorophenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 35024765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).