2-[[[4-amino-6-[(2-hydroxyphenyl)methyl-methylamino]-1,3,5-triazin-2-yl]-methylamino]methyl]phenol

C19H22N6O2 — CID 70938061

IUPAC2-[[[4-amino-6-[(2-hydroxyphenyl)methyl-methylamino]-1,3,5-triazin-2-yl]-methylamino]methyl]phenol
SMILESCN(Cc1ccccc1O)c1nc(N)nc(N(C)Cc2ccccc2O)n1
InChIInChI=1S/C19H22N6O2/c1-24(11-13-7-3-5-9-15(13)26)18-21-17(20)22-19(23-18)25(2)12-14-8-4-6-10-16(14)27/h3-10,26-27H,11-12H2,1-2H3,(H2,20,21,22,23)
InChIKeyCXWTXZYWDSAXRI-UHFFFAOYSA-N
MW366.43 g/mol
LogP2.14
Rot. Bonds6

About 2-[[[4-amino-6-[(2-hydroxyphenyl)methyl-methylamino]-1,3,5-triazin-2-yl]-methylamino]methyl]phenol

2-[[[4-amino-6-[(2-hydroxyphenyl)methyl-methylamino]-1,3,5-triazin-2-yl]-methylamino]methyl]phenol (PubChem CID 70938061) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is 2-[[[4-amino-6-[(2-hydroxyphenyl)methyl-methylamino]-1,3,5-triazin-2-yl]-methylamino]methyl]phenol.

Molecular Properties

Compound Name2-[[[4-amino-6-[(2-hydroxyphenyl)methyl-methylamino]-1,3,5-triazin-2-yl]-methylamino]methyl]phenol
PubChem CID70938061
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC Name2-[[[4-amino-6-[(2-hydroxyphenyl)methyl-methylamino]-1,3,5-triazin-2-yl]-methylamino]methyl]phenol
SMILESCN(Cc1ccccc1O)c1nc(N)nc(N(C)Cc2ccccc2O)n1
InChIInChI=1S/C19H22N6O2/c1-24(11-13-7-3-5-9-15(13)26)18-21-17(20)22-19(23-18)25(2)12-14-8-4-6-10-16(14)27/h3-10,26-27H,11-12H2,1-2H3,(H2,20,21,22,23)
InChIKeyCXWTXZYWDSAXRI-UHFFFAOYSA-N
XLogP2.14
TPSA111.63 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[[4-amino-6-[(2-hydroxyphenyl)methyl-methylamino]-1,3,5-triazin-2-yl]-methylamino]methyl]phenol?
The IUPAC name of 2-[[[4-amino-6-[(2-hydroxyphenyl)methyl-methylamino]-1,3,5-triazin-2-yl]-methylamino]methyl]phenol (CID 70938061) is 2-[[[4-amino-6-[(2-hydroxyphenyl)methyl-methylamino]-1,3,5-triazin-2-yl]-methylamino]methyl]phenol.
What is the SMILES notation for 2-[[[4-amino-6-[(2-hydroxyphenyl)methyl-methylamino]-1,3,5-triazin-2-yl]-methylamino]methyl]phenol?
The canonical SMILES for 2-[[[4-amino-6-[(2-hydroxyphenyl)methyl-methylamino]-1,3,5-triazin-2-yl]-methylamino]methyl]phenol is CN(Cc1ccccc1O)c1nc(N)nc(N(C)Cc2ccccc2O)n1.
What is the InChIKey of 2-[[[4-amino-6-[(2-hydroxyphenyl)methyl-methylamino]-1,3,5-triazin-2-yl]-methylamino]methyl]phenol?
The InChIKey is CXWTXZYWDSAXRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-24(11-13-7-3-5-9-15(13)26)18-21-17(20)22-19(23-18)25(2)12-14-8-4-6-10-16(14)27/h3-10,26-27H,11-12H2,1-2H3,(H2,20,21,22,23).
What are the key properties of 2-[[[4-amino-6-[(2-hydroxyphenyl)methyl-methylamino]-1,3,5-triazin-2-yl]-methylamino]methyl]phenol?
2-[[[4-amino-6-[(2-hydroxyphenyl)methyl-methylamino]-1,3,5-triazin-2-yl]-methylamino]methyl]phenol has a molecular weight of 366.43 g/mol, XLogP of 2.14, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[4-amino-6-[(2-hydroxyphenyl)methyl-methylamino]-1,3,5-triazin-2-yl]-methylamino]methyl]phenol is sourced from PubChem (CID 70938061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).