2-ethyl-2-[[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]methyl]butan-1-ol

C13H25N5O2 — CID 106258464

IUPAC2-ethyl-2-[[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]methyl]butan-1-ol
SMILESCCNc1nc(NCC(CC)(CC)CO)nc(OC)n1
InChIInChI=1S/C13H25N5O2/c1-5-13(6-2,9-19)8-15-11-16-10(14-7-3)17-12(18-11)20-4/h19H,5-9H2,1-4H3,(H2,14,15,16,17,18)
InChIKeyCFEUWQHXHGJCML-UHFFFAOYSA-N
MW283.38 g/mol
LogP1.52
Rot. Bonds9

About 2-ethyl-2-[[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]methyl]butan-1-ol

2-ethyl-2-[[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]methyl]butan-1-ol (PubChem CID 106258464) has the molecular formula C13H25N5O2 and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-ethyl-2-[[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]methyl]butan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-[[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]methyl]butan-1-ol
PubChem CID106258464
Molecular FormulaC13H25N5O2
Molecular Weight283.38 g/mol
Exact Mass283.20
IUPAC Name2-ethyl-2-[[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]methyl]butan-1-ol
SMILESCCNc1nc(NCC(CC)(CC)CO)nc(OC)n1
InChIInChI=1S/C13H25N5O2/c1-5-13(6-2,9-19)8-15-11-16-10(14-7-3)17-12(18-11)20-4/h19H,5-9H2,1-4H3,(H2,14,15,16,17,18)
InChIKeyCFEUWQHXHGJCML-UHFFFAOYSA-N
XLogP1.52
TPSA92.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-ethyl-2-[[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]methyl]butan-1-ol with MolForge

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Related Compounds

1-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol
CID 80841768
3-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-2,2-dimethylpropan-1-ol
CID 115366495
3-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]propan-1-ol
CID 80866003
4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-3,3-dimethylbutan-1-ol
CID 113244350
4-N-ethyl-6-methoxy-2-N-pentyl-1,3,5-triazine-2,4-diamine
CID 80786527
N-ethyl-4-methoxy-6-(3-methylbutoxy)-1,3,5-triazin-2-amine
CID 80858244
2-ethyl-2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propane-1,3-diol
CID 107868657
2-ethyl-2-[(pyrimidin-2-ylamino)methyl]butan-1-ol
CID 75431914
N-ethyl-4-methoxy-6-(3-methoxy-3-methylbutoxy)-1,3,5-triazin-2-amine
CID 106669087
2-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]-methylamino]ethanol
CID 80771509
1-[[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]methyl]cyclopentan-1-ol
CID 80842810
2-N-(cyclopentylmethyl)-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80783826

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]methyl]butan-1-ol?
The IUPAC name of 2-ethyl-2-[[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]methyl]butan-1-ol (CID 106258464) is 2-ethyl-2-[[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]methyl]butan-1-ol.
What is the SMILES notation for 2-ethyl-2-[[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]methyl]butan-1-ol?
The canonical SMILES for 2-ethyl-2-[[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]methyl]butan-1-ol is CCNc1nc(NCC(CC)(CC)CO)nc(OC)n1.
What is the InChIKey of 2-ethyl-2-[[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]methyl]butan-1-ol?
The InChIKey is CFEUWQHXHGJCML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O2/c1-5-13(6-2,9-19)8-15-11-16-10(14-7-3)17-12(18-11)20-4/h19H,5-9H2,1-4H3,(H2,14,15,16,17,18).
What are the key properties of 2-ethyl-2-[[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]methyl]butan-1-ol?
2-ethyl-2-[[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]methyl]butan-1-ol has a molecular weight of 283.38 g/mol, XLogP of 1.52, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]methyl]butan-1-ol is sourced from PubChem (CID 106258464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).