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

C19H21ClN6 — CID 171851348

IUPAC2-N-(4-chlorophenyl)-1-phenyl-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine
SMILESNC1=NC(Nc2ccc(Cl)cc2)N(c2ccccc2)C(N2CCCC2)=N1
InChIInChI=1S/C19H21ClN6/c20-14-8-10-15(11-9-14)22-18-23-17(21)24-19(25-12-4-5-13-25)26(18)16-6-2-1-3-7-16/h1-3,6-11,18,22H,4-5,12-13H2,(H2,21,23)
InChIKeyVEJUVNOIIBKZMF-UHFFFAOYSA-N
MW368.87 g/mol
LogP3.32
Rot. Bonds3

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

2-N-(4-chlorophenyl)-1-phenyl-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine (PubChem CID 171851348) has the molecular formula C19H21ClN6 and a molecular weight of 368.87 g/mol. Its IUPAC name is 2-N-(4-chlorophenyl)-1-phenyl-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-chlorophenyl)-1-phenyl-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine
PubChem CID171851348
Molecular FormulaC19H21ClN6
Molecular Weight368.87 g/mol
Exact Mass368.15
IUPAC Name2-N-(4-chlorophenyl)-1-phenyl-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine
SMILESNC1=NC(Nc2ccc(Cl)cc2)N(c2ccccc2)C(N2CCCC2)=N1
InChIInChI=1S/C19H21ClN6/c20-14-8-10-15(11-9-14)22-18-23-17(21)24-19(25-12-4-5-13-25)26(18)16-6-2-1-3-7-16/h1-3,6-11,18,22H,4-5,12-13H2,(H2,21,23)
InChIKeyVEJUVNOIIBKZMF-UHFFFAOYSA-N
XLogP3.32
TPSA69.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.87
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-(4-chlorophenyl)-1-phenyl-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(4-chlorophenyl)-1-phenyl-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine (CID 171851348) is 2-N-(4-chlorophenyl)-1-phenyl-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(4-chlorophenyl)-1-phenyl-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(4-chlorophenyl)-1-phenyl-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine is NC1=NC(Nc2ccc(Cl)cc2)N(c2ccccc2)C(N2CCCC2)=N1.
What is the InChIKey of 2-N-(4-chlorophenyl)-1-phenyl-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine?
The InChIKey is VEJUVNOIIBKZMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN6/c20-14-8-10-15(11-9-14)22-18-23-17(21)24-19(25-12-4-5-13-25)26(18)16-6-2-1-3-7-16/h1-3,6-11,18,22H,4-5,12-13H2,(H2,21,23).
What are the key properties of 2-N-(4-chlorophenyl)-1-phenyl-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine?
2-N-(4-chlorophenyl)-1-phenyl-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine has a molecular weight of 368.87 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-chlorophenyl)-1-phenyl-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 171851348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).