[2-[4-amino-6-(benzylamino)-1,3,5-triazin-2-yl]-5-methoxyphenyl]methanol

C18H19N5O2 — CID 155524863

IUPAC[2-[4-amino-6-(benzylamino)-1,3,5-triazin-2-yl]-5-methoxyphenyl]methanol
SMILESCOc1ccc(-c2nc(N)nc(NCc3ccccc3)n2)c(CO)c1
InChIInChI=1S/C18H19N5O2/c1-25-14-7-8-15(13(9-14)11-24)16-21-17(19)23-18(22-16)20-10-12-5-3-2-4-6-12/h2-9,24H,10-11H2,1H3,(H3,19,20,21,22,23)
InChIKeyYLQATDRNTXGKBS-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.23
Rot. Bonds6

About [2-[4-amino-6-(benzylamino)-1,3,5-triazin-2-yl]-5-methoxyphenyl]methanol

[2-[4-amino-6-(benzylamino)-1,3,5-triazin-2-yl]-5-methoxyphenyl]methanol (PubChem CID 155524863) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is [2-[4-amino-6-(benzylamino)-1,3,5-triazin-2-yl]-5-methoxyphenyl]methanol.

Molecular Properties

Compound Name[2-[4-amino-6-(benzylamino)-1,3,5-triazin-2-yl]-5-methoxyphenyl]methanol
PubChem CID155524863
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name[2-[4-amino-6-(benzylamino)-1,3,5-triazin-2-yl]-5-methoxyphenyl]methanol
SMILESCOc1ccc(-c2nc(N)nc(NCc3ccccc3)n2)c(CO)c1
InChIInChI=1S/C18H19N5O2/c1-25-14-7-8-15(13(9-14)11-24)16-21-17(19)23-18(22-16)20-10-12-5-3-2-4-6-12/h2-9,24H,10-11H2,1H3,(H3,19,20,21,22,23)
InChIKeyYLQATDRNTXGKBS-UHFFFAOYSA-N
XLogP2.23
TPSA106.18 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-[4-amino-6-(benzylamino)-1,3,5-triazin-2-yl]-5-methoxyphenyl]methanol?
The IUPAC name of [2-[4-amino-6-(benzylamino)-1,3,5-triazin-2-yl]-5-methoxyphenyl]methanol (CID 155524863) is [2-[4-amino-6-(benzylamino)-1,3,5-triazin-2-yl]-5-methoxyphenyl]methanol.
What is the SMILES notation for [2-[4-amino-6-(benzylamino)-1,3,5-triazin-2-yl]-5-methoxyphenyl]methanol?
The canonical SMILES for [2-[4-amino-6-(benzylamino)-1,3,5-triazin-2-yl]-5-methoxyphenyl]methanol is COc1ccc(-c2nc(N)nc(NCc3ccccc3)n2)c(CO)c1.
What is the InChIKey of [2-[4-amino-6-(benzylamino)-1,3,5-triazin-2-yl]-5-methoxyphenyl]methanol?
The InChIKey is YLQATDRNTXGKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-25-14-7-8-15(13(9-14)11-24)16-21-17(19)23-18(22-16)20-10-12-5-3-2-4-6-12/h2-9,24H,10-11H2,1H3,(H3,19,20,21,22,23).
What are the key properties of [2-[4-amino-6-(benzylamino)-1,3,5-triazin-2-yl]-5-methoxyphenyl]methanol?
[2-[4-amino-6-(benzylamino)-1,3,5-triazin-2-yl]-5-methoxyphenyl]methanol has a molecular weight of 337.38 g/mol, XLogP of 2.23, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-amino-6-(benzylamino)-1,3,5-triazin-2-yl]-5-methoxyphenyl]methanol is sourced from PubChem (CID 155524863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).