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

C14H27N5O2 — CID 80803355

IUPAC2-ethyl-2-[[4-(ethylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]butan-1-ol
SMILESCCCOc1nc(NCC)nc(NC(CC)(CC)CO)n1
InChIInChI=1S/C14H27N5O2/c1-5-9-21-13-17-11(15-8-4)16-12(18-13)19-14(6-2,7-3)10-20/h20H,5-10H2,1-4H3,(H2,15,16,17,18,19)
InChIKeyXAMSBZGXFLGTJO-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.06
Rot. Bonds10

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

2-ethyl-2-[[4-(ethylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]butan-1-ol (PubChem CID 80803355) has the molecular formula C14H27N5O2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-ethyl-2-[[4-(ethylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]butan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-[[4-(ethylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]butan-1-ol
PubChem CID80803355
Molecular FormulaC14H27N5O2
Molecular Weight297.40 g/mol
Exact Mass297.22
IUPAC Name2-ethyl-2-[[4-(ethylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]butan-1-ol
SMILESCCCOc1nc(NCC)nc(NC(CC)(CC)CO)n1
InChIInChI=1S/C14H27N5O2/c1-5-9-21-13-17-11(15-8-4)16-12(18-13)19-14(6-2,7-3)10-20/h20H,5-10H2,1-4H3,(H2,15,16,17,18,19)
InChIKeyXAMSBZGXFLGTJO-UHFFFAOYSA-N
XLogP2.06
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 ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[4-(ethylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]butan-1-ol?
The IUPAC name of 2-ethyl-2-[[4-(ethylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]butan-1-ol (CID 80803355) is 2-ethyl-2-[[4-(ethylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]butan-1-ol.
What is the SMILES notation for 2-ethyl-2-[[4-(ethylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]butan-1-ol?
The canonical SMILES for 2-ethyl-2-[[4-(ethylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]butan-1-ol is CCCOc1nc(NCC)nc(NC(CC)(CC)CO)n1.
What is the InChIKey of 2-ethyl-2-[[4-(ethylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]butan-1-ol?
The InChIKey is XAMSBZGXFLGTJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5O2/c1-5-9-21-13-17-11(15-8-4)16-12(18-13)19-14(6-2,7-3)10-20/h20H,5-10H2,1-4H3,(H2,15,16,17,18,19).
What are the key properties of 2-ethyl-2-[[4-(ethylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]butan-1-ol?
2-ethyl-2-[[4-(ethylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]butan-1-ol has a molecular weight of 297.40 g/mol, XLogP of 2.06, 10 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-propoxy-1,3,5-triazin-2-yl]amino]butan-1-ol is sourced from PubChem (CID 80803355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).