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

C22H29ClN6 — CID 171851053

IUPAC2-N-(4-ethylphenyl)-1-(4-methylphenyl)-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine;hydrochloride
SMILESCCc1ccc(NC2N=C(N)N=C(N3CCCC3)N2c2ccc(C)cc2)cc1.Cl
InChIInChI=1S/C22H28N6.ClH/c1-3-17-8-10-18(11-9-17)24-21-25-20(23)26-22(27-14-4-5-15-27)28(21)19-12-6-16(2)7-13-19;/h6-13,21,24H,3-5,14-15H2,1-2H3,(H2,23,25);1H
InChIKeyQGWBMRUHVFWJIX-UHFFFAOYSA-N
MW412.97 g/mol
LogP3.96
Rot. Bonds4

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

2-N-(4-ethylphenyl)-1-(4-methylphenyl)-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine;hydrochloride (PubChem CID 171851053) has the molecular formula C22H29ClN6 and a molecular weight of 412.97 g/mol. Its IUPAC name is 2-N-(4-ethylphenyl)-1-(4-methylphenyl)-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine;hydrochloride.

Molecular Properties

Compound Name2-N-(4-ethylphenyl)-1-(4-methylphenyl)-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine;hydrochloride
PubChem CID171851053
Molecular FormulaC22H29ClN6
Molecular Weight412.97 g/mol
Exact Mass412.21
IUPAC Name2-N-(4-ethylphenyl)-1-(4-methylphenyl)-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine;hydrochloride
SMILESCCc1ccc(NC2N=C(N)N=C(N3CCCC3)N2c2ccc(C)cc2)cc1.Cl
InChIInChI=1S/C22H28N6.ClH/c1-3-17-8-10-18(11-9-17)24-21-25-20(23)26-22(27-14-4-5-15-27)28(21)19-12-6-16(2)7-13-19;/h6-13,21,24H,3-5,14-15H2,1-2H3,(H2,23,25);1H
InChIKeyQGWBMRUHVFWJIX-UHFFFAOYSA-N
XLogP3.96
TPSA69.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.97
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-(4-ethylphenyl)-1-(4-methylphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine;hydrochloride
CID 171851412
2-N-(4-ethylphenyl)-1-phenyl-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine;hydrochloride
CID 171851271
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-(3,5-dimethylphenyl)-1-(4-methylphenyl)-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine
CID 171851388
2-N-(4-ethylphenyl)-1-(3-fluorophenyl)-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine
CID 171851204
2-N-(1,3-benzodioxol-5-yl)-1-(4-methylphenyl)-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine;hydrochloride
CID 171851458
2-N-(4-chlorophenyl)-1-(4-methylphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine
CID 171851202
2-N-(3,5-dimethylphenyl)-1-phenyl-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine
CID 171851185
2-N,1-bis(3,4-dimethylphenyl)-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine
CID 171851173
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-(4-chlorophenyl)-1-phenyl-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine
CID 171851348
2-N-(3-chlorophenyl)-1-(4-ethylphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine
CID 171851200

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-ethylphenyl)-1-(4-methylphenyl)-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine;hydrochloride?
The IUPAC name of 2-N-(4-ethylphenyl)-1-(4-methylphenyl)-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine;hydrochloride (CID 171851053) is 2-N-(4-ethylphenyl)-1-(4-methylphenyl)-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine;hydrochloride.
What is the SMILES notation for 2-N-(4-ethylphenyl)-1-(4-methylphenyl)-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine;hydrochloride?
The canonical SMILES for 2-N-(4-ethylphenyl)-1-(4-methylphenyl)-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine;hydrochloride is CCc1ccc(NC2N=C(N)N=C(N3CCCC3)N2c2ccc(C)cc2)cc1.Cl.
What is the InChIKey of 2-N-(4-ethylphenyl)-1-(4-methylphenyl)-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine;hydrochloride?
The InChIKey is QGWBMRUHVFWJIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6.ClH/c1-3-17-8-10-18(11-9-17)24-21-25-20(23)26-22(27-14-4-5-15-27)28(21)19-12-6-16(2)7-13-19;/h6-13,21,24H,3-5,14-15H2,1-2H3,(H2,23,25);1H.
What are the key properties of 2-N-(4-ethylphenyl)-1-(4-methylphenyl)-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine;hydrochloride?
2-N-(4-ethylphenyl)-1-(4-methylphenyl)-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine;hydrochloride has a molecular weight of 412.97 g/mol, XLogP of 3.96, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-ethylphenyl)-1-(4-methylphenyl)-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine;hydrochloride is sourced from PubChem (CID 171851053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).