1-[[4-[butoxymethyl(methoxymethyl)amino]-6-(3-methylphenyl)-1,3,5-triazin-2-yl]amino]ethanol

C19H29N5O3 — CID 89467737

IUPAC1-[[4-[butoxymethyl(methoxymethyl)amino]-6-(3-methylphenyl)-1,3,5-triazin-2-yl]amino]ethanol
SMILESCCCCOCN(COC)c1nc(NC(C)O)nc(-c2cccc(C)c2)n1
InChIInChI=1S/C19H29N5O3/c1-5-6-10-27-13-24(12-26-4)19-22-17(16-9-7-8-14(2)11-16)21-18(23-19)20-15(3)25/h7-9,11,15,25H,5-6,10,12-13H2,1-4H3,(H,20,21,22,23)
InChIKeyCYBKSVKPFDVHHN-UHFFFAOYSA-N
MW375.47 g/mol
LogP2.78
Rot. Bonds11

About 1-[[4-[butoxymethyl(methoxymethyl)amino]-6-(3-methylphenyl)-1,3,5-triazin-2-yl]amino]ethanol

1-[[4-[butoxymethyl(methoxymethyl)amino]-6-(3-methylphenyl)-1,3,5-triazin-2-yl]amino]ethanol (PubChem CID 89467737) has the molecular formula C19H29N5O3 and a molecular weight of 375.47 g/mol. Its IUPAC name is 1-[[4-[butoxymethyl(methoxymethyl)amino]-6-(3-methylphenyl)-1,3,5-triazin-2-yl]amino]ethanol.

Molecular Properties

Compound Name1-[[4-[butoxymethyl(methoxymethyl)amino]-6-(3-methylphenyl)-1,3,5-triazin-2-yl]amino]ethanol
PubChem CID89467737
Molecular FormulaC19H29N5O3
Molecular Weight375.47 g/mol
Exact Mass375.23
IUPAC Name1-[[4-[butoxymethyl(methoxymethyl)amino]-6-(3-methylphenyl)-1,3,5-triazin-2-yl]amino]ethanol
SMILESCCCCOCN(COC)c1nc(NC(C)O)nc(-c2cccc(C)c2)n1
InChIInChI=1S/C19H29N5O3/c1-5-6-10-27-13-24(12-26-4)19-22-17(16-9-7-8-14(2)11-16)21-18(23-19)20-15(3)25/h7-9,11,15,25H,5-6,10,12-13H2,1-4H3,(H,20,21,22,23)
InChIKeyCYBKSVKPFDVHHN-UHFFFAOYSA-N
XLogP2.78
TPSA92.63 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-[[4-[butoxymethyl(methoxymethyl)amino]-6-(3-methylphenyl)-1,3,5-triazin-2-yl]amino]ethanol with MolForge

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Related Compounds

[[4-[bis(butoxymethyl)amino]-6-phenyl-1,3,5-triazin-2-yl]-(cyclobutyloxymethyl)amino]methanol
CID 90334408
(1S)-N-(2-butoxyethyl)-1-(3-methylphenyl)ethanamine
CID 81361060
2-N,2-N,4-N,4-N-tetrakis(butoxymethyl)-6-chloro-1,3,5-triazine-2,4-diamine
CID 139712262
1-butoxybutane;propan-2-ol;1,3,5-trimethylbenzene
CID 67628315
4-(methoxymethyl)-6-methyl-2-(3-methylphenyl)pyrimidine
CID 142147287
N-[[4,6-dimethyl-2-(3-methylphenyl)pyrimidin-5-yl]methyl]ethanamine
CID 55113779
5-methoxy-2-(3-methylphenyl)pyrimidine
CID 91581567
4,6-dimethyl-2-(3-methylphenyl)pyrimidine
CID 55264289
2-(3-methylphenyl)-4,6-bis(4-methylphenyl)-1,3,5-triazine
CID 171058363
N-methyl-2-(3-methylphenyl)-6-propan-2-ylpyrimidin-4-amine
CID 62190394
1-(2,2-difluoroethyl)-5-[(2R)-1-methoxypropan-2-yl]-3-(3-methylphenyl)-1,2,4-triazole
CID 166396018
bis(2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-(3-butoxy-2-hydroxypropoxy)phenol);methane
CID 160511620

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[butoxymethyl(methoxymethyl)amino]-6-(3-methylphenyl)-1,3,5-triazin-2-yl]amino]ethanol?
The IUPAC name of 1-[[4-[butoxymethyl(methoxymethyl)amino]-6-(3-methylphenyl)-1,3,5-triazin-2-yl]amino]ethanol (CID 89467737) is 1-[[4-[butoxymethyl(methoxymethyl)amino]-6-(3-methylphenyl)-1,3,5-triazin-2-yl]amino]ethanol.
What is the SMILES notation for 1-[[4-[butoxymethyl(methoxymethyl)amino]-6-(3-methylphenyl)-1,3,5-triazin-2-yl]amino]ethanol?
The canonical SMILES for 1-[[4-[butoxymethyl(methoxymethyl)amino]-6-(3-methylphenyl)-1,3,5-triazin-2-yl]amino]ethanol is CCCCOCN(COC)c1nc(NC(C)O)nc(-c2cccc(C)c2)n1.
What is the InChIKey of 1-[[4-[butoxymethyl(methoxymethyl)amino]-6-(3-methylphenyl)-1,3,5-triazin-2-yl]amino]ethanol?
The InChIKey is CYBKSVKPFDVHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O3/c1-5-6-10-27-13-24(12-26-4)19-22-17(16-9-7-8-14(2)11-16)21-18(23-19)20-15(3)25/h7-9,11,15,25H,5-6,10,12-13H2,1-4H3,(H,20,21,22,23).
What are the key properties of 1-[[4-[butoxymethyl(methoxymethyl)amino]-6-(3-methylphenyl)-1,3,5-triazin-2-yl]amino]ethanol?
1-[[4-[butoxymethyl(methoxymethyl)amino]-6-(3-methylphenyl)-1,3,5-triazin-2-yl]amino]ethanol has a molecular weight of 375.47 g/mol, XLogP of 2.78, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[butoxymethyl(methoxymethyl)amino]-6-(3-methylphenyl)-1,3,5-triazin-2-yl]amino]ethanol is sourced from PubChem (CID 89467737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).