3-(4,6-diamino-1,3,5-triazin-2-yl)-2-methylphenol

C10H11N5O — CID 112681318

IUPAC3-(4,6-diamino-1,3,5-triazin-2-yl)-2-methylphenol
SMILESCc1c(O)cccc1-c1nc(N)nc(N)n1
InChIInChI=1S/C10H11N5O/c1-5-6(3-2-4-7(5)16)8-13-9(11)15-10(12)14-8/h2-4,16H,1H3,(H4,11,12,13,14,15)
InChIKeyRWILHJUUBQUUPQ-UHFFFAOYSA-N
MW217.23 g/mol
LogP0.72
Rot. Bonds1

About 3-(4,6-diamino-1,3,5-triazin-2-yl)-2-methylphenol

3-(4,6-diamino-1,3,5-triazin-2-yl)-2-methylphenol (PubChem CID 112681318) has the molecular formula C10H11N5O and a molecular weight of 217.23 g/mol. Its IUPAC name is 3-(4,6-diamino-1,3,5-triazin-2-yl)-2-methylphenol.

Molecular Properties

Compound Name3-(4,6-diamino-1,3,5-triazin-2-yl)-2-methylphenol
PubChem CID112681318
Molecular FormulaC10H11N5O
Molecular Weight217.23 g/mol
Exact Mass217.10
IUPAC Name3-(4,6-diamino-1,3,5-triazin-2-yl)-2-methylphenol
SMILESCc1c(O)cccc1-c1nc(N)nc(N)n1
InChIInChI=1S/C10H11N5O/c1-5-6(3-2-4-7(5)16)8-13-9(11)15-10(12)14-8/h2-4,16H,1H3,(H4,11,12,13,14,15)
InChIKeyRWILHJUUBQUUPQ-UHFFFAOYSA-N
XLogP0.72
TPSA110.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4,6-bis(2,3-dimethylphenyl)-1,3,5-triazin-2-amine
CID 155659770
6-(2-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 2730671
6-(2-fluoro-3-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 112681364
3-(2,4-diaminopyrimidin-5-yl)-2-methylphenol
CID 69057591
3-(3-bromo-2-methylphenyl)-2-methylphenol
CID 167107181
6-(2,3-dichlorophenyl)-1,3,5-triazine-2,4-diamine
CID 12852436
2,4,6-tris(2,3-dimethylphenyl)-1,3,5-triazine
CID 22475994
2-methylbenzene-1,3-diol
CID 139200813
6-(2,6-dimethyl-3-pyridinyl)-1,3,5-triazine-2,4-diamine
CID 112681460
4-chloro-6-(2-fluoro-3-methylphenyl)-1,3,5-triazin-2-amine
CID 83240116
4-(2-fluorophenyl)-6-methyl-1,3,5-triazin-2-amine
CID 82469916
3-amino-2-methylphenol;hydrate
CID 175262808

Frequently Asked Questions

What is the IUPAC name of 3-(4,6-diamino-1,3,5-triazin-2-yl)-2-methylphenol?
The IUPAC name of 3-(4,6-diamino-1,3,5-triazin-2-yl)-2-methylphenol (CID 112681318) is 3-(4,6-diamino-1,3,5-triazin-2-yl)-2-methylphenol.
What is the SMILES notation for 3-(4,6-diamino-1,3,5-triazin-2-yl)-2-methylphenol?
The canonical SMILES for 3-(4,6-diamino-1,3,5-triazin-2-yl)-2-methylphenol is Cc1c(O)cccc1-c1nc(N)nc(N)n1.
What is the InChIKey of 3-(4,6-diamino-1,3,5-triazin-2-yl)-2-methylphenol?
The InChIKey is RWILHJUUBQUUPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O/c1-5-6(3-2-4-7(5)16)8-13-9(11)15-10(12)14-8/h2-4,16H,1H3,(H4,11,12,13,14,15).
What are the key properties of 3-(4,6-diamino-1,3,5-triazin-2-yl)-2-methylphenol?
3-(4,6-diamino-1,3,5-triazin-2-yl)-2-methylphenol has a molecular weight of 217.23 g/mol, XLogP of 0.72, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-diamino-1,3,5-triazin-2-yl)-2-methylphenol is sourced from PubChem (CID 112681318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).