[2-[4-amino-6-[(4-methylphenyl)methylamino]-1,3,5-triazin-2-yl]phenyl]methanol

C18H19N5O — CID 155517559

IUPAC[2-[4-amino-6-[(4-methylphenyl)methylamino]-1,3,5-triazin-2-yl]phenyl]methanol
SMILESCc1ccc(CNc2nc(N)nc(-c3ccccc3CO)n2)cc1
InChIInChI=1S/C18H19N5O/c1-12-6-8-13(9-7-12)10-20-18-22-16(21-17(19)23-18)15-5-3-2-4-14(15)11-24/h2-9,24H,10-11H2,1H3,(H3,19,20,21,22,23)
InChIKeyYCGLZMGKAKKKIC-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.53
Rot. Bonds5

About [2-[4-amino-6-[(4-methylphenyl)methylamino]-1,3,5-triazin-2-yl]phenyl]methanol

[2-[4-amino-6-[(4-methylphenyl)methylamino]-1,3,5-triazin-2-yl]phenyl]methanol (PubChem CID 155517559) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is [2-[4-amino-6-[(4-methylphenyl)methylamino]-1,3,5-triazin-2-yl]phenyl]methanol.

Molecular Properties

Compound Name[2-[4-amino-6-[(4-methylphenyl)methylamino]-1,3,5-triazin-2-yl]phenyl]methanol
PubChem CID155517559
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name[2-[4-amino-6-[(4-methylphenyl)methylamino]-1,3,5-triazin-2-yl]phenyl]methanol
SMILESCc1ccc(CNc2nc(N)nc(-c3ccccc3CO)n2)cc1
InChIInChI=1S/C18H19N5O/c1-12-6-8-13(9-7-12)10-20-18-22-16(21-17(19)23-18)15-5-3-2-4-14(15)11-24/h2-9,24H,10-11H2,1H3,(H3,19,20,21,22,23)
InChIKeyYCGLZMGKAKKKIC-UHFFFAOYSA-N
XLogP2.53
TPSA96.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze [2-[4-amino-6-[(4-methylphenyl)methylamino]-1,3,5-triazin-2-yl]phenyl]methanol 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 [2-[4-amino-6-[(4-methylphenyl)methylamino]-1,3,5-triazin-2-yl]phenyl]methanol?
The IUPAC name of [2-[4-amino-6-[(4-methylphenyl)methylamino]-1,3,5-triazin-2-yl]phenyl]methanol (CID 155517559) is [2-[4-amino-6-[(4-methylphenyl)methylamino]-1,3,5-triazin-2-yl]phenyl]methanol.
What is the SMILES notation for [2-[4-amino-6-[(4-methylphenyl)methylamino]-1,3,5-triazin-2-yl]phenyl]methanol?
The canonical SMILES for [2-[4-amino-6-[(4-methylphenyl)methylamino]-1,3,5-triazin-2-yl]phenyl]methanol is Cc1ccc(CNc2nc(N)nc(-c3ccccc3CO)n2)cc1.
What is the InChIKey of [2-[4-amino-6-[(4-methylphenyl)methylamino]-1,3,5-triazin-2-yl]phenyl]methanol?
The InChIKey is YCGLZMGKAKKKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-12-6-8-13(9-7-12)10-20-18-22-16(21-17(19)23-18)15-5-3-2-4-14(15)11-24/h2-9,24H,10-11H2,1H3,(H3,19,20,21,22,23).
What are the key properties of [2-[4-amino-6-[(4-methylphenyl)methylamino]-1,3,5-triazin-2-yl]phenyl]methanol?
[2-[4-amino-6-[(4-methylphenyl)methylamino]-1,3,5-triazin-2-yl]phenyl]methanol has a molecular weight of 321.38 g/mol, XLogP of 2.53, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-amino-6-[(4-methylphenyl)methylamino]-1,3,5-triazin-2-yl]phenyl]methanol is sourced from PubChem (CID 155517559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).