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

C23H28N6 — CID 18584592

IUPAC2-N,4-N-bis(3,5-dimethylphenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
SMILESCc1cc(C)cc(Nc2nc(Nc3cc(C)cc(C)c3)nc(N3CCCC3)n2)c1
InChIInChI=1S/C23H28N6/c1-15-9-16(2)12-19(11-15)24-21-26-22(25-20-13-17(3)10-18(4)14-20)28-23(27-21)29-7-5-6-8-29/h9-14H,5-8H2,1-4H3,(H2,24,25,26,27,28)
InChIKeyFMOXMPVLJZAZOE-UHFFFAOYSA-N
MW388.52 g/mol
LogP5.19
Rot. Bonds5

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

2-N,4-N-bis(3,5-dimethylphenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine (PubChem CID 18584592) has the molecular formula C23H28N6 and a molecular weight of 388.52 g/mol. Its IUPAC name is 2-N,4-N-bis(3,5-dimethylphenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-bis(3,5-dimethylphenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
PubChem CID18584592
Molecular FormulaC23H28N6
Molecular Weight388.52 g/mol
Exact Mass388.24
IUPAC Name2-N,4-N-bis(3,5-dimethylphenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
SMILESCc1cc(C)cc(Nc2nc(Nc3cc(C)cc(C)c3)nc(N3CCCC3)n2)c1
InChIInChI=1S/C23H28N6/c1-15-9-16(2)12-19(11-15)24-21-26-22(25-20-13-17(3)10-18(4)14-20)28-23(27-21)29-7-5-6-8-29/h9-14H,5-8H2,1-4H3,(H2,24,25,26,27,28)
InChIKeyFMOXMPVLJZAZOE-UHFFFAOYSA-N
XLogP5.19
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.52
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N-(3,5-dimethylphenyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 171851124
2-N-(3,5-dimethylphenyl)-4-N-(3-fluorophenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 35024765
2-N-(3-fluoro-5-methylphenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80834570
4-chloro-N-(3-fluoro-5-methylphenyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 79046218
2-N-(3,5-dimethylphenyl)-4-N-phenyl-6-piperazin-1-yl-1,3,5-triazine-2,4-diamine
CID 24877203
4-(azepan-1-yl)-N-(3,5-dimethylphenyl)pyrimidin-2-amine
CID 112901537
4-N-(3,5-dimethylphenyl)-6-methyl-2-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112928292
2-N,4-N-bis[4-[(3,5-dimethylphenyl)diazenyl]phenyl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 20762407
2-N-(3-chlorophenyl)-4-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80736345
N-(3,5-dimethylphenyl)-4,6-dimethyl-1,3,5-triazin-2-amine
CID 134173031
6-(azepan-1-yl)-2-N-(3,4-difluorophenyl)-4-N-[(4-methylphenyl)methyl]-1,3,5-triazine-2,4-diamine
CID 171686387
N-[4-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]phenyl]acetamide
CID 7192885

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-bis(3,5-dimethylphenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,4-N-bis(3,5-dimethylphenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine (CID 18584592) is 2-N,4-N-bis(3,5-dimethylphenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-bis(3,5-dimethylphenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,4-N-bis(3,5-dimethylphenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine is Cc1cc(C)cc(Nc2nc(Nc3cc(C)cc(C)c3)nc(N3CCCC3)n2)c1.
What is the InChIKey of 2-N,4-N-bis(3,5-dimethylphenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is FMOXMPVLJZAZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6/c1-15-9-16(2)12-19(11-15)24-21-26-22(25-20-13-17(3)10-18(4)14-20)28-23(27-21)29-7-5-6-8-29/h9-14H,5-8H2,1-4H3,(H2,24,25,26,27,28).
What are the key properties of 2-N,4-N-bis(3,5-dimethylphenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
2-N,4-N-bis(3,5-dimethylphenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 388.52 g/mol, XLogP of 5.19, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-bis(3,5-dimethylphenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 18584592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).