2-N-(4-fluorophenyl)-1-(3-methylphenyl)-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine;hydrochloride

C20H24ClFN6 — CID 171851280

IUPAC2-N-(4-fluorophenyl)-1-(3-methylphenyl)-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine;hydrochloride
SMILESCc1cccc(N2C(N3CCCC3)=NC(N)=NC2Nc2ccc(F)cc2)c1.Cl
InChIInChI=1S/C20H23FN6.ClH/c1-14-5-4-6-17(13-14)27-19(23-16-9-7-15(21)8-10-16)24-18(22)25-20(27)26-11-2-3-12-26;/h4-10,13,19,23H,2-3,11-12H2,1H3,(H2,22,24);1H
InChIKeyZPZUYCWGIJJFOX-UHFFFAOYSA-N
MW402.91 g/mol
LogP3.54
Rot. Bonds3

About 2-N-(4-fluorophenyl)-1-(3-methylphenyl)-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine;hydrochloride

2-N-(4-fluorophenyl)-1-(3-methylphenyl)-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine;hydrochloride (PubChem CID 171851280) has the molecular formula C20H24ClFN6 and a molecular weight of 402.91 g/mol. Its IUPAC name is 2-N-(4-fluorophenyl)-1-(3-methylphenyl)-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine;hydrochloride.

Molecular Properties

Compound Name2-N-(4-fluorophenyl)-1-(3-methylphenyl)-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine;hydrochloride
PubChem CID171851280
Molecular FormulaC20H24ClFN6
Molecular Weight402.91 g/mol
Exact Mass402.17
IUPAC Name2-N-(4-fluorophenyl)-1-(3-methylphenyl)-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine;hydrochloride
SMILESCc1cccc(N2C(N3CCCC3)=NC(N)=NC2Nc2ccc(F)cc2)c1.Cl
InChIInChI=1S/C20H23FN6.ClH/c1-14-5-4-6-17(13-14)27-19(23-16-9-7-15(21)8-10-16)24-18(22)25-20(27)26-11-2-3-12-26;/h4-10,13,19,23H,2-3,11-12H2,1H3,(H2,22,24);1H
InChIKeyZPZUYCWGIJJFOX-UHFFFAOYSA-N
XLogP3.54
TPSA69.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.91
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-(4-fluorophenyl)-1-(3-methoxyphenyl)-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine;hydrochloride
CID 171851225
2-N-(4-ethoxyphenyl)-1-(3-methylphenyl)-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine;hydrochloride
CID 171851212
2-N-(4-ethylphenyl)-1-(3-fluorophenyl)-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine
CID 171851204
2-N,1-bis(3-methylphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine;hydrochloride
CID 171851474
2-N-(3,5-dimethylphenyl)-1-phenyl-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine
CID 171851185
2-N-(3,4-dimethylphenyl)-1-(3,5-dimethylphenyl)-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine;hydrochloride
CID 171851334
2-N-(3,5-dimethylphenyl)-1-(4-methylphenyl)-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine;hydrochloride
CID 171851387
2-N-(4-ethylphenyl)-1-phenyl-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine;hydrochloride
CID 171851271
2-N-(4-chlorophenyl)-1-phenyl-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine
CID 171851348
2-N-(3,5-dimethylphenyl)-1-(4-methylphenyl)-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine
CID 171851388
2-N-(3,4-dimethylphenyl)-1-(3-fluorophenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine
CID 171851420
2-N-(4-ethoxyphenyl)-1-phenyl-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine;hydrochloride
CID 171850981

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-fluorophenyl)-1-(3-methylphenyl)-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine;hydrochloride?
The IUPAC name of 2-N-(4-fluorophenyl)-1-(3-methylphenyl)-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine;hydrochloride (CID 171851280) is 2-N-(4-fluorophenyl)-1-(3-methylphenyl)-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine;hydrochloride.
What is the SMILES notation for 2-N-(4-fluorophenyl)-1-(3-methylphenyl)-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine;hydrochloride?
The canonical SMILES for 2-N-(4-fluorophenyl)-1-(3-methylphenyl)-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine;hydrochloride is Cc1cccc(N2C(N3CCCC3)=NC(N)=NC2Nc2ccc(F)cc2)c1.Cl.
What is the InChIKey of 2-N-(4-fluorophenyl)-1-(3-methylphenyl)-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine;hydrochloride?
The InChIKey is ZPZUYCWGIJJFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN6.ClH/c1-14-5-4-6-17(13-14)27-19(23-16-9-7-15(21)8-10-16)24-18(22)25-20(27)26-11-2-3-12-26;/h4-10,13,19,23H,2-3,11-12H2,1H3,(H2,22,24);1H.
What are the key properties of 2-N-(4-fluorophenyl)-1-(3-methylphenyl)-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine;hydrochloride?
2-N-(4-fluorophenyl)-1-(3-methylphenyl)-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine;hydrochloride has a molecular weight of 402.91 g/mol, XLogP of 3.54, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-fluorophenyl)-1-(3-methylphenyl)-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine;hydrochloride is sourced from PubChem (CID 171851280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).