4-N-ethyl-6-propan-2-yloxy-2-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3,5-triazine-2,4-diamine

C13H20N6OS — CID 80820066

IUPAC4-N-ethyl-6-propan-2-yloxy-2-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(NCCc2cscn2)nc(OC(C)C)n1
InChIInChI=1S/C13H20N6OS/c1-4-14-11-17-12(19-13(18-11)20-9(2)3)15-6-5-10-7-21-8-16-10/h7-9H,4-6H2,1-3H3,(H2,14,15,17,18,19)
InChIKeyGLUHSAUDABELEF-UHFFFAOYSA-N
MW308.41 g/mol
LogP2.20
Rot. Bonds8

About 4-N-ethyl-6-propan-2-yloxy-2-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3,5-triazine-2,4-diamine

4-N-ethyl-6-propan-2-yloxy-2-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3,5-triazine-2,4-diamine (PubChem CID 80820066) has the molecular formula C13H20N6OS and a molecular weight of 308.41 g/mol. Its IUPAC name is 4-N-ethyl-6-propan-2-yloxy-2-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-6-propan-2-yloxy-2-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3,5-triazine-2,4-diamine
PubChem CID80820066
Molecular FormulaC13H20N6OS
Molecular Weight308.41 g/mol
Exact Mass308.14
IUPAC Name4-N-ethyl-6-propan-2-yloxy-2-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(NCCc2cscn2)nc(OC(C)C)n1
InChIInChI=1S/C13H20N6OS/c1-4-14-11-17-12(19-13(18-11)20-9(2)3)15-6-5-10-7-21-8-16-10/h7-9H,4-6H2,1-3H3,(H2,14,15,17,18,19)
InChIKeyGLUHSAUDABELEF-UHFFFAOYSA-N
XLogP2.20
TPSA84.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-6-propan-2-yloxy-2-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-ethyl-6-propan-2-yloxy-2-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3,5-triazine-2,4-diamine (CID 80820066) is 4-N-ethyl-6-propan-2-yloxy-2-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-ethyl-6-propan-2-yloxy-2-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-ethyl-6-propan-2-yloxy-2-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3,5-triazine-2,4-diamine is CCNc1nc(NCCc2cscn2)nc(OC(C)C)n1.
What is the InChIKey of 4-N-ethyl-6-propan-2-yloxy-2-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is GLUHSAUDABELEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6OS/c1-4-14-11-17-12(19-13(18-11)20-9(2)3)15-6-5-10-7-21-8-16-10/h7-9H,4-6H2,1-3H3,(H2,14,15,17,18,19).
What are the key properties of 4-N-ethyl-6-propan-2-yloxy-2-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3,5-triazine-2,4-diamine?
4-N-ethyl-6-propan-2-yloxy-2-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 308.41 g/mol, XLogP of 2.20, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-6-propan-2-yloxy-2-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80820066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).