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

C14H27N5O2 — CID 80803474

IUPAC2-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-2-ethylbutan-1-ol
SMILESCCCNc1nc(NC(CC)(CC)CO)nc(OCC)n1
InChIInChI=1S/C14H27N5O2/c1-5-9-15-11-16-12(18-13(17-11)21-8-4)19-14(6-2,7-3)10-20/h20H,5-10H2,1-4H3,(H2,15,16,17,18,19)
InChIKeyRGJFQWHNKVFNHW-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.06
Rot. Bonds10

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

2-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-2-ethylbutan-1-ol (PubChem CID 80803474) has the molecular formula C14H27N5O2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-2-ethylbutan-1-ol.

Molecular Properties

Compound Name2-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-2-ethylbutan-1-ol
PubChem CID80803474
Molecular FormulaC14H27N5O2
Molecular Weight297.40 g/mol
Exact Mass297.22
IUPAC Name2-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-2-ethylbutan-1-ol
SMILESCCCNc1nc(NC(CC)(CC)CO)nc(OCC)n1
InChIInChI=1S/C14H27N5O2/c1-5-9-15-11-16-12(18-13(17-11)21-8-4)19-14(6-2,7-3)10-20/h20H,5-10H2,1-4H3,(H2,15,16,17,18,19)
InChIKeyRGJFQWHNKVFNHW-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-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-2-ethylbutan-1-ol?
The IUPAC name of 2-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-2-ethylbutan-1-ol (CID 80803474) is 2-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-2-ethylbutan-1-ol.
What is the SMILES notation for 2-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-2-ethylbutan-1-ol?
The canonical SMILES for 2-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-2-ethylbutan-1-ol is CCCNc1nc(NC(CC)(CC)CO)nc(OCC)n1.
What is the InChIKey of 2-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-2-ethylbutan-1-ol?
The InChIKey is RGJFQWHNKVFNHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5O2/c1-5-9-15-11-16-12(18-13(17-11)21-8-4)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-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-2-ethylbutan-1-ol?
2-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-2-ethylbutan-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-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-2-ethylbutan-1-ol is sourced from PubChem (CID 80803474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).