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

C21H26N6 — CID 171851185

IUPAC2-N-(3,5-dimethylphenyl)-1-phenyl-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine
SMILESCc1cc(C)cc(NC2N=C(N)N=C(N3CCCC3)N2c2ccccc2)c1
InChIInChI=1S/C21H26N6/c1-15-12-16(2)14-17(13-15)23-20-24-19(22)25-21(26-10-6-7-11-26)27(20)18-8-4-3-5-9-18/h3-5,8-9,12-14,20,23H,6-7,10-11H2,1-2H3,(H2,22,24)
InChIKeyICAFUGSURCEFQT-UHFFFAOYSA-N
MW362.48 g/mol
LogP3.29
Rot. Bonds3

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

2-N-(3,5-dimethylphenyl)-1-phenyl-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine (PubChem CID 171851185) has the molecular formula C21H26N6 and a molecular weight of 362.48 g/mol. Its IUPAC name is 2-N-(3,5-dimethylphenyl)-1-phenyl-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3,5-dimethylphenyl)-1-phenyl-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine
PubChem CID171851185
Molecular FormulaC21H26N6
Molecular Weight362.48 g/mol
Exact Mass362.22
IUPAC Name2-N-(3,5-dimethylphenyl)-1-phenyl-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine
SMILESCc1cc(C)cc(NC2N=C(N)N=C(N3CCCC3)N2c2ccccc2)c1
InChIInChI=1S/C21H26N6/c1-15-12-16(2)14-17(13-15)23-20-24-19(22)25-21(26-10-6-7-11-26)27(20)18-8-4-3-5-9-18/h3-5,8-9,12-14,20,23H,6-7,10-11H2,1-2H3,(H2,22,24)
InChIKeyICAFUGSURCEFQT-UHFFFAOYSA-N
XLogP3.29
TPSA69.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-(3,5-dimethylphenyl)-1-phenyl-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(3,5-dimethylphenyl)-1-phenyl-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine (CID 171851185) is 2-N-(3,5-dimethylphenyl)-1-phenyl-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(3,5-dimethylphenyl)-1-phenyl-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(3,5-dimethylphenyl)-1-phenyl-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine is Cc1cc(C)cc(NC2N=C(N)N=C(N3CCCC3)N2c2ccccc2)c1.
What is the InChIKey of 2-N-(3,5-dimethylphenyl)-1-phenyl-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine?
The InChIKey is ICAFUGSURCEFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6/c1-15-12-16(2)14-17(13-15)23-20-24-19(22)25-21(26-10-6-7-11-26)27(20)18-8-4-3-5-9-18/h3-5,8-9,12-14,20,23H,6-7,10-11H2,1-2H3,(H2,22,24).
What are the key properties of 2-N-(3,5-dimethylphenyl)-1-phenyl-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine?
2-N-(3,5-dimethylphenyl)-1-phenyl-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine has a molecular weight of 362.48 g/mol, XLogP of 3.29, 3 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)-1-phenyl-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 171851185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).