1-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-3-methoxypropan-2-ol

C12H23N5O3 — CID 80835942

IUPAC1-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-3-methoxypropan-2-ol
SMILESCCCNc1nc(NCC(O)COC)nc(OCC)n1
InChIInChI=1S/C12H23N5O3/c1-4-6-13-10-15-11(14-7-9(18)8-19-3)17-12(16-10)20-5-2/h9,18H,4-8H2,1-3H3,(H2,13,14,15,16,17)
InChIKeyDXWJJTHSIBWSGE-UHFFFAOYSA-N
MW285.35 g/mol
LogP0.51
Rot. Bonds10

About 1-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-3-methoxypropan-2-ol

1-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-3-methoxypropan-2-ol (PubChem CID 80835942) has the molecular formula C12H23N5O3 and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-3-methoxypropan-2-ol
PubChem CID80835942
Molecular FormulaC12H23N5O3
Molecular Weight285.35 g/mol
Exact Mass285.18
IUPAC Name1-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-3-methoxypropan-2-ol
SMILESCCCNc1nc(NCC(O)COC)nc(OCC)n1
InChIInChI=1S/C12H23N5O3/c1-4-6-13-10-15-11(14-7-9(18)8-19-3)17-12(16-10)20-5-2/h9,18H,4-8H2,1-3H3,(H2,13,14,15,16,17)
InChIKeyDXWJJTHSIBWSGE-UHFFFAOYSA-N
XLogP0.51
TPSA101.42 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 1-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-3-methoxypropan-2-ol with MolForge

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Related Compounds

1-[[4-(ethylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]-3-methoxypropan-2-ol
CID 80835670
6-ethoxy-2-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine
CID 80765702
6-ethoxy-2-N-(1-methoxypropan-2-yl)-2-N-methyl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80808604
3-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]propane-1,2-diol
CID 80850512
1-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-4-methylpentan-2-ol
CID 107159645
2-N-(2,2-dimethylbutyl)-6-ethoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 103466702
6-ethoxy-2-N-ethyl-2-N-(1-methoxypropan-2-yl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80790033
3-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]propane-1,2-diol
CID 80850764
6-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]hexan-1-ol
CID 107855312
6-ethoxy-4-N-propyl-2-N-(2,2,3,3-tetrafluoropropyl)-1,3,5-triazine-2,4-diamine
CID 106296089
2-N-[2-(dimethylamino)ethyl]-6-ethoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80770559
2-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol
CID 80780311

Frequently Asked Questions

What is the IUPAC name of 1-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-3-methoxypropan-2-ol?
The IUPAC name of 1-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-3-methoxypropan-2-ol (CID 80835942) is 1-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-3-methoxypropan-2-ol.
What is the SMILES notation for 1-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-3-methoxypropan-2-ol?
The canonical SMILES for 1-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-3-methoxypropan-2-ol is CCCNc1nc(NCC(O)COC)nc(OCC)n1.
What is the InChIKey of 1-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-3-methoxypropan-2-ol?
The InChIKey is DXWJJTHSIBWSGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O3/c1-4-6-13-10-15-11(14-7-9(18)8-19-3)17-12(16-10)20-5-2/h9,18H,4-8H2,1-3H3,(H2,13,14,15,16,17).
What are the key properties of 1-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-3-methoxypropan-2-ol?
1-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-3-methoxypropan-2-ol has a molecular weight of 285.35 g/mol, XLogP of 0.51, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-3-methoxypropan-2-ol is sourced from PubChem (CID 80835942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).