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

C23H30Cl2N6O — CID 16823472

IUPAC2-N,4-N-bis(2,3-dimethylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;dihydrochloride
SMILESCc1cccc(Nc2nc(Nc3cccc(C)c3C)nc(N3CCOCC3)n2)c1C.Cl.Cl
InChIInChI=1S/C23H28N6O.2ClH/c1-15-7-5-9-19(17(15)3)24-21-26-22(25-20-10-6-8-16(2)18(20)4)28-23(27-21)29-11-13-30-14-12-29;;/h5-10H,11-14H2,1-4H3,(H2,24,25,26,27,28);2*1H
InChIKeyIVRGJUZIOCJWPC-UHFFFAOYSA-N
MW477.44 g/mol
LogP5.27
Rot. Bonds5

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

2-N,4-N-bis(2,3-dimethylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;dihydrochloride (PubChem CID 16823472) has the molecular formula C23H30Cl2N6O and a molecular weight of 477.44 g/mol. Its IUPAC name is 2-N,4-N-bis(2,3-dimethylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;dihydrochloride.

Molecular Properties

Compound Name2-N,4-N-bis(2,3-dimethylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;dihydrochloride
PubChem CID16823472
Molecular FormulaC23H30Cl2N6O
Molecular Weight477.44 g/mol
Exact Mass476.19
IUPAC Name2-N,4-N-bis(2,3-dimethylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;dihydrochloride
SMILESCc1cccc(Nc2nc(Nc3cccc(C)c3C)nc(N3CCOCC3)n2)c1C.Cl.Cl
InChIInChI=1S/C23H28N6O.2ClH/c1-15-7-5-9-19(17(15)3)24-21-26-22(25-20-10-6-8-16(2)18(20)4)28-23(27-21)29-11-13-30-14-12-29;;/h5-10H,11-14H2,1-4H3,(H2,24,25,26,27,28);2*1H
InChIKeyIVRGJUZIOCJWPC-UHFFFAOYSA-N
XLogP5.27
TPSA75.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.44
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-bis(2,3-dimethylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;dihydrochloride?
The IUPAC name of 2-N,4-N-bis(2,3-dimethylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;dihydrochloride (CID 16823472) is 2-N,4-N-bis(2,3-dimethylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;dihydrochloride.
What is the SMILES notation for 2-N,4-N-bis(2,3-dimethylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;dihydrochloride?
The canonical SMILES for 2-N,4-N-bis(2,3-dimethylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;dihydrochloride is Cc1cccc(Nc2nc(Nc3cccc(C)c3C)nc(N3CCOCC3)n2)c1C.Cl.Cl.
What is the InChIKey of 2-N,4-N-bis(2,3-dimethylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;dihydrochloride?
The InChIKey is IVRGJUZIOCJWPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O.2ClH/c1-15-7-5-9-19(17(15)3)24-21-26-22(25-20-10-6-8-16(2)18(20)4)28-23(27-21)29-11-13-30-14-12-29;;/h5-10H,11-14H2,1-4H3,(H2,24,25,26,27,28);2*1H.
What are the key properties of 2-N,4-N-bis(2,3-dimethylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;dihydrochloride?
2-N,4-N-bis(2,3-dimethylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;dihydrochloride has a molecular weight of 477.44 g/mol, XLogP of 5.27, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-bis(2,3-dimethylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;dihydrochloride is sourced from PubChem (CID 16823472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).