6-methyl-2-N-(1-thiophen-2-yloxybutan-2-yl)-1,3,5-triazine-2,4-diamine

C12H17N5OS — CID 21348568

IUPAC6-methyl-2-N-(1-thiophen-2-yloxybutan-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCCC(COc1cccs1)Nc1nc(C)nc(N)n1
InChIInChI=1S/C12H17N5OS/c1-3-9(7-18-10-5-4-6-19-10)16-12-15-8(2)14-11(13)17-12/h4-6,9H,3,7H2,1-2H3,(H3,13,14,15,16,17)
InChIKeyRMNWXPPAPPZTPE-UHFFFAOYSA-N
MW279.37 g/mol
LogP2.09
Rot. Bonds6

About 6-methyl-2-N-(1-thiophen-2-yloxybutan-2-yl)-1,3,5-triazine-2,4-diamine

6-methyl-2-N-(1-thiophen-2-yloxybutan-2-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 21348568) has the molecular formula C12H17N5OS and a molecular weight of 279.37 g/mol. Its IUPAC name is 6-methyl-2-N-(1-thiophen-2-yloxybutan-2-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-methyl-2-N-(1-thiophen-2-yloxybutan-2-yl)-1,3,5-triazine-2,4-diamine
PubChem CID21348568
Molecular FormulaC12H17N5OS
Molecular Weight279.37 g/mol
Exact Mass279.12
IUPAC Name6-methyl-2-N-(1-thiophen-2-yloxybutan-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCCC(COc1cccs1)Nc1nc(C)nc(N)n1
InChIInChI=1S/C12H17N5OS/c1-3-9(7-18-10-5-4-6-19-10)16-12-15-8(2)14-11(13)17-12/h4-6,9H,3,7H2,1-2H3,(H3,13,14,15,16,17)
InChIKeyRMNWXPPAPPZTPE-UHFFFAOYSA-N
XLogP2.09
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-N-(1-thiophen-2-yloxybutan-2-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-methyl-2-N-(1-thiophen-2-yloxybutan-2-yl)-1,3,5-triazine-2,4-diamine (CID 21348568) is 6-methyl-2-N-(1-thiophen-2-yloxybutan-2-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-methyl-2-N-(1-thiophen-2-yloxybutan-2-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-methyl-2-N-(1-thiophen-2-yloxybutan-2-yl)-1,3,5-triazine-2,4-diamine is CCC(COc1cccs1)Nc1nc(C)nc(N)n1.
What is the InChIKey of 6-methyl-2-N-(1-thiophen-2-yloxybutan-2-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is RMNWXPPAPPZTPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5OS/c1-3-9(7-18-10-5-4-6-19-10)16-12-15-8(2)14-11(13)17-12/h4-6,9H,3,7H2,1-2H3,(H3,13,14,15,16,17).
What are the key properties of 6-methyl-2-N-(1-thiophen-2-yloxybutan-2-yl)-1,3,5-triazine-2,4-diamine?
6-methyl-2-N-(1-thiophen-2-yloxybutan-2-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 279.37 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-N-(1-thiophen-2-yloxybutan-2-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 21348568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).