2-[[4-[2-(3,4-dimethoxyphenyl)ethylamino]-6-ethoxy-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol

C19H29N5O4 — CID 3239498

IUPAC2-[[4-[2-(3,4-dimethoxyphenyl)ethylamino]-6-ethoxy-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol
SMILESCCOc1nc(NCCc2ccc(OC)c(OC)c2)nc(NC(C)(C)CO)n1
InChIInChI=1S/C19H29N5O4/c1-6-28-18-22-16(21-17(23-18)24-19(2,3)12-25)20-10-9-13-7-8-14(26-4)15(11-13)27-5/h7-8,11,25H,6,9-10,12H2,1-5H3,(H2,20,21,22,23,24)
InChIKeyWBVOLKCAUFJUCZ-UHFFFAOYSA-N
MW391.47 g/mol
LogP2.12
Rot. Bonds11

About 2-[[4-[2-(3,4-dimethoxyphenyl)ethylamino]-6-ethoxy-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol

2-[[4-[2-(3,4-dimethoxyphenyl)ethylamino]-6-ethoxy-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol (PubChem CID 3239498) has the molecular formula C19H29N5O4 and a molecular weight of 391.47 g/mol. Its IUPAC name is 2-[[4-[2-(3,4-dimethoxyphenyl)ethylamino]-6-ethoxy-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[[4-[2-(3,4-dimethoxyphenyl)ethylamino]-6-ethoxy-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol
PubChem CID3239498
Molecular FormulaC19H29N5O4
Molecular Weight391.47 g/mol
Exact Mass391.22
IUPAC Name2-[[4-[2-(3,4-dimethoxyphenyl)ethylamino]-6-ethoxy-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol
SMILESCCOc1nc(NCCc2ccc(OC)c(OC)c2)nc(NC(C)(C)CO)n1
InChIInChI=1S/C19H29N5O4/c1-6-28-18-22-16(21-17(23-18)24-19(2,3)12-25)20-10-9-13-7-8-14(26-4)15(11-13)27-5/h7-8,11,25H,6,9-10,12H2,1-5H3,(H2,20,21,22,23,24)
InChIKeyWBVOLKCAUFJUCZ-UHFFFAOYSA-N
XLogP2.12
TPSA110.65 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[2-(3,4-dimethoxyphenyl)ethylamino]-6-ethoxy-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol?
The IUPAC name of 2-[[4-[2-(3,4-dimethoxyphenyl)ethylamino]-6-ethoxy-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol (CID 3239498) is 2-[[4-[2-(3,4-dimethoxyphenyl)ethylamino]-6-ethoxy-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[[4-[2-(3,4-dimethoxyphenyl)ethylamino]-6-ethoxy-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol?
The canonical SMILES for 2-[[4-[2-(3,4-dimethoxyphenyl)ethylamino]-6-ethoxy-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol is CCOc1nc(NCCc2ccc(OC)c(OC)c2)nc(NC(C)(C)CO)n1.
What is the InChIKey of 2-[[4-[2-(3,4-dimethoxyphenyl)ethylamino]-6-ethoxy-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol?
The InChIKey is WBVOLKCAUFJUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O4/c1-6-28-18-22-16(21-17(23-18)24-19(2,3)12-25)20-10-9-13-7-8-14(26-4)15(11-13)27-5/h7-8,11,25H,6,9-10,12H2,1-5H3,(H2,20,21,22,23,24).
What are the key properties of 2-[[4-[2-(3,4-dimethoxyphenyl)ethylamino]-6-ethoxy-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol?
2-[[4-[2-(3,4-dimethoxyphenyl)ethylamino]-6-ethoxy-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol has a molecular weight of 391.47 g/mol, XLogP of 2.12, 11 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[2-(3,4-dimethoxyphenyl)ethylamino]-6-ethoxy-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol is sourced from PubChem (CID 3239498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).