6-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)oxymethyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine

C22H25N5O2 — CID 171348368

IUPAC6-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)oxymethyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
SMILESCc1ccc(Nc2nc(N)nc(COc3ccc4c(c3)CCC(C)(C)O4)n2)cc1
InChIInChI=1S/C22H25N5O2/c1-14-4-6-16(7-5-14)24-21-26-19(25-20(23)27-21)13-28-17-8-9-18-15(12-17)10-11-22(2,3)29-18/h4-9,12H,10-11,13H2,1-3H3,(H3,23,24,25,26,27)
InChIKeyQYEWHIXPEWHDHQ-UHFFFAOYSA-N
MW391.48 g/mol
LogP4.19
Rot. Bonds5

About 6-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)oxymethyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine

6-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)oxymethyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 171348368) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 6-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)oxymethyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)oxymethyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
PubChem CID171348368
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name6-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)oxymethyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
SMILESCc1ccc(Nc2nc(N)nc(COc3ccc4c(c3)CCC(C)(C)O4)n2)cc1
InChIInChI=1S/C22H25N5O2/c1-14-4-6-16(7-5-14)24-21-26-19(25-20(23)27-21)13-28-17-8-9-18-15(12-17)10-11-22(2,3)29-18/h4-9,12H,10-11,13H2,1-3H3,(H3,23,24,25,26,27)
InChIKeyQYEWHIXPEWHDHQ-UHFFFAOYSA-N
XLogP4.19
TPSA95.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)oxymethyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)oxymethyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)oxymethyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine (CID 171348368) is 6-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)oxymethyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)oxymethyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)oxymethyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine is Cc1ccc(Nc2nc(N)nc(COc3ccc4c(c3)CCC(C)(C)O4)n2)cc1.
What is the InChIKey of 6-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)oxymethyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is QYEWHIXPEWHDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-14-4-6-16(7-5-14)24-21-26-19(25-20(23)27-21)13-28-17-8-9-18-15(12-17)10-11-22(2,3)29-18/h4-9,12H,10-11,13H2,1-3H3,(H3,23,24,25,26,27).
What are the key properties of 6-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)oxymethyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine?
6-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)oxymethyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 391.48 g/mol, XLogP of 4.19, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)oxymethyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 171348368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).