3-ethyl-1-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]pentan-2-ol

C14H27N5O2 — CID 106289027

IUPAC3-ethyl-1-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]pentan-2-ol
SMILESCCCOc1nc(NC)nc(NCC(O)C(CC)CC)n1
InChIInChI=1S/C14H27N5O2/c1-5-8-21-14-18-12(15-4)17-13(19-14)16-9-11(20)10(6-2)7-3/h10-11,20H,5-9H2,1-4H3,(H2,15,16,17,18,19)
InChIKeyLJUNESCVAIUGHO-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.91
Rot. Bonds10

About 3-ethyl-1-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]pentan-2-ol

3-ethyl-1-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]pentan-2-ol (PubChem CID 106289027) has the molecular formula C14H27N5O2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 3-ethyl-1-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]pentan-2-ol.

Molecular Properties

Compound Name3-ethyl-1-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]pentan-2-ol
PubChem CID106289027
Molecular FormulaC14H27N5O2
Molecular Weight297.40 g/mol
Exact Mass297.22
IUPAC Name3-ethyl-1-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]pentan-2-ol
SMILESCCCOc1nc(NC)nc(NCC(O)C(CC)CC)n1
InChIInChI=1S/C14H27N5O2/c1-5-8-21-14-18-12(15-4)17-13(19-14)16-9-11(20)10(6-2)7-3/h10-11,20H,5-9H2,1-4H3,(H2,15,16,17,18,19)
InChIKeyLJUNESCVAIUGHO-UHFFFAOYSA-N
XLogP1.91
TPSA92.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]pentan-2-ol?
The IUPAC name of 3-ethyl-1-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]pentan-2-ol (CID 106289027) is 3-ethyl-1-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]pentan-2-ol.
What is the SMILES notation for 3-ethyl-1-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]pentan-2-ol?
The canonical SMILES for 3-ethyl-1-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]pentan-2-ol is CCCOc1nc(NC)nc(NCC(O)C(CC)CC)n1.
What is the InChIKey of 3-ethyl-1-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]pentan-2-ol?
The InChIKey is LJUNESCVAIUGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5O2/c1-5-8-21-14-18-12(15-4)17-13(19-14)16-9-11(20)10(6-2)7-3/h10-11,20H,5-9H2,1-4H3,(H2,15,16,17,18,19).
What are the key properties of 3-ethyl-1-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]pentan-2-ol?
3-ethyl-1-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]pentan-2-ol has a molecular weight of 297.40 g/mol, XLogP of 1.91, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]pentan-2-ol is sourced from PubChem (CID 106289027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).