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

C18H27N5O4 — CID 3242147

IUPAC2-[[4-[2-(3,4-dimethoxyphenyl)ethylamino]-6-methoxy-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol
SMILESCOc1nc(NCCc2ccc(OC)c(OC)c2)nc(NC(C)(C)CO)n1
InChIInChI=1S/C18H27N5O4/c1-18(2,11-24)23-16-20-15(21-17(22-16)27-5)19-9-8-12-6-7-13(25-3)14(10-12)26-4/h6-7,10,24H,8-9,11H2,1-5H3,(H2,19,20,21,22,23)
InChIKeySTVNKUTUBCRYQI-UHFFFAOYSA-N
MW377.45 g/mol
LogP1.73
Rot. Bonds10

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

2-[[4-[2-(3,4-dimethoxyphenyl)ethylamino]-6-methoxy-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol (PubChem CID 3242147) has the molecular formula C18H27N5O4 and a molecular weight of 377.45 g/mol. Its IUPAC name is 2-[[4-[2-(3,4-dimethoxyphenyl)ethylamino]-6-methoxy-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[[4-[2-(3,4-dimethoxyphenyl)ethylamino]-6-methoxy-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol
PubChem CID3242147
Molecular FormulaC18H27N5O4
Molecular Weight377.45 g/mol
Exact Mass377.21
IUPAC Name2-[[4-[2-(3,4-dimethoxyphenyl)ethylamino]-6-methoxy-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol
SMILESCOc1nc(NCCc2ccc(OC)c(OC)c2)nc(NC(C)(C)CO)n1
InChIInChI=1S/C18H27N5O4/c1-18(2,11-24)23-16-20-15(21-17(22-16)27-5)19-9-8-12-6-7-13(25-3)14(10-12)26-4/h6-7,10,24H,8-9,11H2,1-5H3,(H2,19,20,21,22,23)
InChIKeySTVNKUTUBCRYQI-UHFFFAOYSA-N
XLogP1.73
TPSA110.65 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 51.73
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-methoxy-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol?
The IUPAC name of 2-[[4-[2-(3,4-dimethoxyphenyl)ethylamino]-6-methoxy-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol (CID 3242147) is 2-[[4-[2-(3,4-dimethoxyphenyl)ethylamino]-6-methoxy-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-methoxy-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol?
The canonical SMILES for 2-[[4-[2-(3,4-dimethoxyphenyl)ethylamino]-6-methoxy-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol is COc1nc(NCCc2ccc(OC)c(OC)c2)nc(NC(C)(C)CO)n1.
What is the InChIKey of 2-[[4-[2-(3,4-dimethoxyphenyl)ethylamino]-6-methoxy-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol?
The InChIKey is STVNKUTUBCRYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O4/c1-18(2,11-24)23-16-20-15(21-17(22-16)27-5)19-9-8-12-6-7-13(25-3)14(10-12)26-4/h6-7,10,24H,8-9,11H2,1-5H3,(H2,19,20,21,22,23).
What are the key properties of 2-[[4-[2-(3,4-dimethoxyphenyl)ethylamino]-6-methoxy-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol?
2-[[4-[2-(3,4-dimethoxyphenyl)ethylamino]-6-methoxy-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol has a molecular weight of 377.45 g/mol, XLogP of 1.73, 10 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-methoxy-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol is sourced from PubChem (CID 3242147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).