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

C19H21N5O2 — CID 155515359

IUPAC[2-[4-amino-6-(benzylamino)-1,3,5-triazin-2-yl]-5-ethoxyphenyl]methanol
SMILESCCOc1ccc(-c2nc(N)nc(NCc3ccccc3)n2)c(CO)c1
InChIInChI=1S/C19H21N5O2/c1-2-26-15-8-9-16(14(10-15)12-25)17-22-18(20)24-19(23-17)21-11-13-6-4-3-5-7-13/h3-10,25H,2,11-12H2,1H3,(H3,20,21,22,23,24)
InChIKeyQWACDYMQDHPONK-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.62
Rot. Bonds7

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

[2-[4-amino-6-(benzylamino)-1,3,5-triazin-2-yl]-5-ethoxyphenyl]methanol (PubChem CID 155515359) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is [2-[4-amino-6-(benzylamino)-1,3,5-triazin-2-yl]-5-ethoxyphenyl]methanol.

Molecular Properties

Compound Name[2-[4-amino-6-(benzylamino)-1,3,5-triazin-2-yl]-5-ethoxyphenyl]methanol
PubChem CID155515359
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name[2-[4-amino-6-(benzylamino)-1,3,5-triazin-2-yl]-5-ethoxyphenyl]methanol
SMILESCCOc1ccc(-c2nc(N)nc(NCc3ccccc3)n2)c(CO)c1
InChIInChI=1S/C19H21N5O2/c1-2-26-15-8-9-16(14(10-15)12-25)17-22-18(20)24-19(23-17)21-11-13-6-4-3-5-7-13/h3-10,25H,2,11-12H2,1H3,(H3,20,21,22,23,24)
InChIKeyQWACDYMQDHPONK-UHFFFAOYSA-N
XLogP2.62
TPSA106.18 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

(2-(4-Amino-6-((4-phenoxybenzyl)amino)-1,3,5-triazin-2-yl)-3-fluorophenyl)methanol
CID 139030523
6-[4-(4-Methylphenoxy)phenyl]-1,3,5-triazine-2,4-diamine
CID 745572
2-[5-[4-[2-(4-Fluorophenyl)ethylamino]-6-methoxy-1,3,5-triazin-2-yl]-2-methoxyphenyl]propan-2-ol
CID 71599531
CID 127036397
CID 127036397
N-[2-(4-fluorophenyl)ethyl]-4-methoxy-6-(3-methoxyphenyl)-1,3,5-triazin-2-amine
CID 71599188
4-(3,4-dimethoxyphenyl)-N-[2-(4-fluorophenyl)ethyl]-6-methoxy-1,3,5-triazin-2-amine
CID 71599190
2-[4-[4-[2-(4-Fluorophenyl)ethylamino]-6-methoxy-1,3,5-triazin-2-yl]-2-methoxyphenyl]propan-2-ol
CID 71599354
2-[2-Methoxy-5-[4-methoxy-6-[2-[4-(trifluoromethoxy)phenyl]ethylamino]-1,3,5-triazin-2-yl]phenyl]propan-2-ol
CID 71599447
2-[5-[4-[2-[4-(Fluoromethoxy)phenyl]ethylamino]-6-methoxy-1,3,5-triazin-2-yl]-2-methoxyphenyl]propan-2-ol
CID 71599709
N-[2-(4-fluorophenyl)ethyl]-4-methoxy-6-(3-propan-2-yloxyphenyl)-1,3,5-triazin-2-amine
CID 118986944
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(4-fluorophenyl)ethyl]-6-methoxy-1,3,5-triazin-2-amine
CID 118986949
2-[3-[4-[2-[4-(Difluoromethoxy)phenyl]ethylamino]-6-methoxy-1,3,5-triazin-2-yl]phenyl]propan-2-ol
CID 118986973

Frequently Asked Questions

What is the IUPAC name of [2-[4-amino-6-(benzylamino)-1,3,5-triazin-2-yl]-5-ethoxyphenyl]methanol?
The IUPAC name of [2-[4-amino-6-(benzylamino)-1,3,5-triazin-2-yl]-5-ethoxyphenyl]methanol (CID 155515359) is [2-[4-amino-6-(benzylamino)-1,3,5-triazin-2-yl]-5-ethoxyphenyl]methanol.
What is the SMILES notation for [2-[4-amino-6-(benzylamino)-1,3,5-triazin-2-yl]-5-ethoxyphenyl]methanol?
The canonical SMILES for [2-[4-amino-6-(benzylamino)-1,3,5-triazin-2-yl]-5-ethoxyphenyl]methanol is CCOc1ccc(-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-ethoxyphenyl]methanol?
The InChIKey is QWACDYMQDHPONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-2-26-15-8-9-16(14(10-15)12-25)17-22-18(20)24-19(23-17)21-11-13-6-4-3-5-7-13/h3-10,25H,2,11-12H2,1H3,(H3,20,21,22,23,24).
What are the key properties of [2-[4-amino-6-(benzylamino)-1,3,5-triazin-2-yl]-5-ethoxyphenyl]methanol?
[2-[4-amino-6-(benzylamino)-1,3,5-triazin-2-yl]-5-ethoxyphenyl]methanol has a molecular weight of 351.41 g/mol, XLogP of 2.62, 7 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-ethoxyphenyl]methanol is sourced from PubChem (CID 155515359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).