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

C18H19N5O2 — CID 58039635

IUPAC4-[[4-ethoxy-6-(pyridin-2-ylmethylamino)-1,3,5-triazin-2-yl]methyl]phenol
SMILESCCOc1nc(Cc2ccc(O)cc2)nc(NCc2ccccn2)n1
InChIInChI=1S/C18H19N5O2/c1-2-25-18-22-16(11-13-6-8-15(24)9-7-13)21-17(23-18)20-12-14-5-3-4-10-19-14/h3-10,24H,2,11-12H2,1H3,(H,20,21,22,23)
InChIKeyVJFQIDROQWNCAV-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.57
Rot. Bonds7

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

4-[[4-ethoxy-6-(pyridin-2-ylmethylamino)-1,3,5-triazin-2-yl]methyl]phenol (PubChem CID 58039635) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 4-[[4-ethoxy-6-(pyridin-2-ylmethylamino)-1,3,5-triazin-2-yl]methyl]phenol.

Molecular Properties

Compound Name4-[[4-ethoxy-6-(pyridin-2-ylmethylamino)-1,3,5-triazin-2-yl]methyl]phenol
PubChem CID58039635
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name4-[[4-ethoxy-6-(pyridin-2-ylmethylamino)-1,3,5-triazin-2-yl]methyl]phenol
SMILESCCOc1nc(Cc2ccc(O)cc2)nc(NCc2ccccn2)n1
InChIInChI=1S/C18H19N5O2/c1-2-25-18-22-16(11-13-6-8-15(24)9-7-13)21-17(23-18)20-12-14-5-3-4-10-19-14/h3-10,24H,2,11-12H2,1H3,(H,20,21,22,23)
InChIKeyVJFQIDROQWNCAV-UHFFFAOYSA-N
XLogP2.57
TPSA93.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[[4-ethoxy-6-(pyridin-2-ylmethylamino)-1,3,5-triazin-2-yl]methyl]phenol with MolForge

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Related Compounds

4-ethoxy-6-hydrazinyl-N-(pyridin-2-ylmethyl)-1,3,5-triazin-2-amine
CID 80943283
4-ethoxy-N-ethyl-6-(2-pyridin-2-ylethoxy)-1,3,5-triazin-2-amine
CID 80846373
4-ethoxy-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
CID 112636546
4-ethoxy-6-methyl-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
CID 112636547
tert-butyl 4-[[4-[(4-aminophenyl)methylamino]-6-ethoxy-1,3,5-triazin-2-yl]methyl]benzoate
CID 58223036
6-methoxy-2-N-(pyridin-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80777487
4-hydrazinyl-6-propan-2-yloxy-N-(pyridin-2-ylmethyl)-1,3,5-triazin-2-amine
CID 80943161
6-ethoxy-2-N,4-N-dimethyl-2-N-(2-pyridin-2-ylethyl)-1,3,5-triazine-2,4-diamine
CID 80749975
4-ethoxy-N-methyl-6-phenylmethoxy-1,3,5-triazin-2-amine
CID 80859346
6-ethoxy-2-N-[(4-methoxyphenyl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80771579
6-ethoxy-2-N-[(4-fluorophenyl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80777450
2-benzyl-6-ethyl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 91964818

Frequently Asked Questions

What is the IUPAC name of 4-[[4-ethoxy-6-(pyridin-2-ylmethylamino)-1,3,5-triazin-2-yl]methyl]phenol?
The IUPAC name of 4-[[4-ethoxy-6-(pyridin-2-ylmethylamino)-1,3,5-triazin-2-yl]methyl]phenol (CID 58039635) is 4-[[4-ethoxy-6-(pyridin-2-ylmethylamino)-1,3,5-triazin-2-yl]methyl]phenol.
What is the SMILES notation for 4-[[4-ethoxy-6-(pyridin-2-ylmethylamino)-1,3,5-triazin-2-yl]methyl]phenol?
The canonical SMILES for 4-[[4-ethoxy-6-(pyridin-2-ylmethylamino)-1,3,5-triazin-2-yl]methyl]phenol is CCOc1nc(Cc2ccc(O)cc2)nc(NCc2ccccn2)n1.
What is the InChIKey of 4-[[4-ethoxy-6-(pyridin-2-ylmethylamino)-1,3,5-triazin-2-yl]methyl]phenol?
The InChIKey is VJFQIDROQWNCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-2-25-18-22-16(11-13-6-8-15(24)9-7-13)21-17(23-18)20-12-14-5-3-4-10-19-14/h3-10,24H,2,11-12H2,1H3,(H,20,21,22,23).
What are the key properties of 4-[[4-ethoxy-6-(pyridin-2-ylmethylamino)-1,3,5-triazin-2-yl]methyl]phenol?
4-[[4-ethoxy-6-(pyridin-2-ylmethylamino)-1,3,5-triazin-2-yl]methyl]phenol has a molecular weight of 337.38 g/mol, XLogP of 2.57, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-ethoxy-6-(pyridin-2-ylmethylamino)-1,3,5-triazin-2-yl]methyl]phenol is sourced from PubChem (CID 58039635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).