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

C10H11N5O — CID 42601351

IUPAC2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]phenol
SMILESNc1nc(N)nc(Cc2ccccc2O)n1
InChIInChI=1S/C10H11N5O/c11-9-13-8(14-10(12)15-9)5-6-3-1-2-4-7(6)16/h1-4,16H,5H2,(H4,11,12,13,14,15)
InChIKeyFKEXLYKEJWUWHF-UHFFFAOYSA-N
MW217.23 g/mol
LogP0.33
Rot. Bonds2

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

2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]phenol (PubChem CID 42601351) has the molecular formula C10H11N5O and a molecular weight of 217.23 g/mol. Its IUPAC name is 2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]phenol.

Molecular Properties

Compound Name2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]phenol
PubChem CID42601351
Molecular FormulaC10H11N5O
Molecular Weight217.23 g/mol
Exact Mass217.10
IUPAC Name2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]phenol
SMILESNc1nc(N)nc(Cc2ccccc2O)n1
InChIInChI=1S/C10H11N5O/c11-9-13-8(14-10(12)15-9)5-6-3-1-2-4-7(6)16/h1-4,16H,5H2,(H4,11,12,13,14,15)
InChIKeyFKEXLYKEJWUWHF-UHFFFAOYSA-N
XLogP0.33
TPSA110.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4,6-Diamino-1,3,5-triazin-2-yl)phenol
CID 97600
2-(4-Amino-6-phenyl-1,3,5-triazin-2-yl)phenol
CID 853426
2-(4,6-Diamino-1,3,5-Triazin-2-Yl)benzene-1,4-Diol
CID 135566556
2-(4,6-Diamino-1,3,5-Triazin-2-Yl)-4-Fluorophenol
CID 135566557
2-[4-Methyl-6-(methylamino)-1,3,5-triazin-2-yl]phenol
CID 950458
2-(4-Amino-6-methyl-1,3,5-triazin-2-yl)phenol
CID 705456
2-(4-Amino-6-propan-2-yl-1,3,5-triazin-2-yl)phenol
CID 136079175
2-{4-Amino-6-[2-(4-fluorophenyl)vinyl]-1,3,5-triazin-2-yl}phenol
CID 5294237
4-(4,6-Diamino-1,3,5-triazin-2-YL)phenol
CID 4524718
2,2'-(6-Amino-1,3,5-triazine-2,4-diyl)diphenol
CID 777754
2-[[(4-Amino-6-methyl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenol
CID 2726640
2-[(E)-N-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-C-methyl-carbonimidoyl]phenol
CID 136233502

Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]phenol?
The IUPAC name of 2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]phenol (CID 42601351) is 2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]phenol.
What is the SMILES notation for 2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]phenol?
The canonical SMILES for 2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]phenol is Nc1nc(N)nc(Cc2ccccc2O)n1.
What is the InChIKey of 2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]phenol?
The InChIKey is FKEXLYKEJWUWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O/c11-9-13-8(14-10(12)15-9)5-6-3-1-2-4-7(6)16/h1-4,16H,5H2,(H4,11,12,13,14,15).
What are the key properties of 2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]phenol?
2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]phenol has a molecular weight of 217.23 g/mol, XLogP of 0.33, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]phenol is sourced from PubChem (CID 42601351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).