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

C23H30N6 — CID 171851173

IUPAC2-N,1-bis(3,4-dimethylphenyl)-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine
SMILESCc1ccc(NC2N=C(N)N=C(N3CCCC3)N2c2ccc(C)c(C)c2)cc1C
InChIInChI=1S/C23H30N6/c1-15-7-9-19(13-17(15)3)25-22-26-21(24)27-23(28-11-5-6-12-28)29(22)20-10-8-16(2)18(4)14-20/h7-10,13-14,22,25H,5-6,11-12H2,1-4H3,(H2,24,26)
InChIKeyCQNQSAJABLWARA-UHFFFAOYSA-N
MW390.54 g/mol
LogP3.90
Rot. Bonds3

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

2-N,1-bis(3,4-dimethylphenyl)-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine (PubChem CID 171851173) has the molecular formula C23H30N6 and a molecular weight of 390.54 g/mol. Its IUPAC name is 2-N,1-bis(3,4-dimethylphenyl)-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,1-bis(3,4-dimethylphenyl)-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine
PubChem CID171851173
Molecular FormulaC23H30N6
Molecular Weight390.54 g/mol
Exact Mass390.25
IUPAC Name2-N,1-bis(3,4-dimethylphenyl)-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine
SMILESCc1ccc(NC2N=C(N)N=C(N3CCCC3)N2c2ccc(C)c(C)c2)cc1C
InChIInChI=1S/C23H30N6/c1-15-7-9-19(13-17(15)3)25-22-26-21(24)27-23(28-11-5-6-12-28)29(22)20-10-8-16(2)18(4)14-20/h7-10,13-14,22,25H,5-6,11-12H2,1-4H3,(H2,24,26)
InChIKeyCQNQSAJABLWARA-UHFFFAOYSA-N
XLogP3.90
TPSA69.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.54
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N,1-bis(3,4-dimethylphenyl)-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,1-bis(3,4-dimethylphenyl)-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine (CID 171851173) is 2-N,1-bis(3,4-dimethylphenyl)-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,1-bis(3,4-dimethylphenyl)-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,1-bis(3,4-dimethylphenyl)-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine is Cc1ccc(NC2N=C(N)N=C(N3CCCC3)N2c2ccc(C)c(C)c2)cc1C.
What is the InChIKey of 2-N,1-bis(3,4-dimethylphenyl)-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine?
The InChIKey is CQNQSAJABLWARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6/c1-15-7-9-19(13-17(15)3)25-22-26-21(24)27-23(28-11-5-6-12-28)29(22)20-10-8-16(2)18(4)14-20/h7-10,13-14,22,25H,5-6,11-12H2,1-4H3,(H2,24,26).
What are the key properties of 2-N,1-bis(3,4-dimethylphenyl)-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine?
2-N,1-bis(3,4-dimethylphenyl)-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine has a molecular weight of 390.54 g/mol, XLogP of 3.90, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,1-bis(3,4-dimethylphenyl)-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 171851173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).