2-N,4-N-bis(4-methylphenyl)-6-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine

C22H26N6O — CID 2861253

IUPAC2-N,4-N-bis(4-methylphenyl)-6-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine
SMILESCc1ccc(Nc2nc(NCC3CCCO3)nc(Nc3ccc(C)cc3)n2)cc1
InChIInChI=1S/C22H26N6O/c1-15-5-9-17(10-6-15)24-21-26-20(23-14-19-4-3-13-29-19)27-22(28-21)25-18-11-7-16(2)8-12-18/h5-12,19H,3-4,13-14H2,1-2H3,(H3,23,24,25,26,27,28)
InChIKeyJOMIDJIZALJVIQ-UHFFFAOYSA-N
MW390.49 g/mol
LogP4.57
Rot. Bonds7

About 2-N,4-N-bis(4-methylphenyl)-6-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine

2-N,4-N-bis(4-methylphenyl)-6-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 2861253) has the molecular formula C22H26N6O and a molecular weight of 390.49 g/mol. Its IUPAC name is 2-N,4-N-bis(4-methylphenyl)-6-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,4-N-bis(4-methylphenyl)-6-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine
PubChem CID2861253
Molecular FormulaC22H26N6O
Molecular Weight390.49 g/mol
Exact Mass390.22
IUPAC Name2-N,4-N-bis(4-methylphenyl)-6-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine
SMILESCc1ccc(Nc2nc(NCC3CCCO3)nc(Nc3ccc(C)cc3)n2)cc1
InChIInChI=1S/C22H26N6O/c1-15-5-9-17(10-6-15)24-21-26-20(23-14-19-4-3-13-29-19)27-22(28-21)25-18-11-7-16(2)8-12-18/h5-12,19H,3-4,13-14H2,1-2H3,(H3,23,24,25,26,27,28)
InChIKeyJOMIDJIZALJVIQ-UHFFFAOYSA-N
XLogP4.57
TPSA83.99 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 54.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-bis(4-methylphenyl)-6-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,4-N-bis(4-methylphenyl)-6-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine (CID 2861253) is 2-N,4-N-bis(4-methylphenyl)-6-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,4-N-bis(4-methylphenyl)-6-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,4-N-bis(4-methylphenyl)-6-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine is Cc1ccc(Nc2nc(NCC3CCCO3)nc(Nc3ccc(C)cc3)n2)cc1.
What is the InChIKey of 2-N,4-N-bis(4-methylphenyl)-6-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is JOMIDJIZALJVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O/c1-15-5-9-17(10-6-15)24-21-26-20(23-14-19-4-3-13-29-19)27-22(28-21)25-18-11-7-16(2)8-12-18/h5-12,19H,3-4,13-14H2,1-2H3,(H3,23,24,25,26,27,28).
What are the key properties of 2-N,4-N-bis(4-methylphenyl)-6-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine?
2-N,4-N-bis(4-methylphenyl)-6-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 390.49 g/mol, XLogP of 4.57, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-bis(4-methylphenyl)-6-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 2861253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).