6-methoxy-2-N-[(3-methylthiophen-2-yl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine

C13H19N5OS — CID 80854981

IUPAC6-methoxy-2-N-[(3-methylthiophen-2-yl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(NCc2sccc2C)nc(OC)n1
InChIInChI=1S/C13H19N5OS/c1-4-6-14-11-16-12(18-13(17-11)19-3)15-8-10-9(2)5-7-20-10/h5,7H,4,6,8H2,1-3H3,(H2,14,15,16,17,18)
InChIKeyXWQJYSFSFOYTAX-UHFFFAOYSA-N
MW293.40 g/mol
LogP2.68
Rot. Bonds7

About 6-methoxy-2-N-[(3-methylthiophen-2-yl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine

6-methoxy-2-N-[(3-methylthiophen-2-yl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine (PubChem CID 80854981) has the molecular formula C13H19N5OS and a molecular weight of 293.40 g/mol. Its IUPAC name is 6-methoxy-2-N-[(3-methylthiophen-2-yl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-methoxy-2-N-[(3-methylthiophen-2-yl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine
PubChem CID80854981
Molecular FormulaC13H19N5OS
Molecular Weight293.40 g/mol
Exact Mass293.13
IUPAC Name6-methoxy-2-N-[(3-methylthiophen-2-yl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(NCc2sccc2C)nc(OC)n1
InChIInChI=1S/C13H19N5OS/c1-4-6-14-11-16-12(18-13(17-11)19-3)15-8-10-9(2)5-7-20-10/h5,7H,4,6,8H2,1-3H3,(H2,14,15,16,17,18)
InChIKeyXWQJYSFSFOYTAX-UHFFFAOYSA-N
XLogP2.68
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-methoxy-2-N-[(3-methylthiophen-2-yl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

4-N-[(3-methylthiophen-2-yl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 80854631
5-chloro-2-methoxy-N-[(3-methylthiophen-2-yl)methyl]pyrimidin-4-amine
CID 80759163
2-N-(3-fluoro-4-methylphenyl)-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80750770
6-methoxy-4-N-propyl-2-N-pyridin-3-yl-1,3,5-triazine-2,4-diamine
CID 117092308
6-methoxy-2-N-methyl-2-N-(2-methylphenyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80795943
4,6-dimethoxy-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3,5-triazin-2-amine
CID 63242633
4-methoxy-6-(3-methoxyphenoxy)-N-propyl-1,3,5-triazin-2-amine
CID 80865867
methyl 2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]acetate
CID 80778176
6-methoxy-2-N-[(1-methylcyclopentyl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80846170
4-methoxy-N-propylthieno[2,3-d]pyrimidin-2-amine
CID 103331399
2-N-(2-bromophenyl)-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80761372
2-[2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]ethoxy]ethanol
CID 80827068

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-N-[(3-methylthiophen-2-yl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-methoxy-2-N-[(3-methylthiophen-2-yl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine (CID 80854981) is 6-methoxy-2-N-[(3-methylthiophen-2-yl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-methoxy-2-N-[(3-methylthiophen-2-yl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-methoxy-2-N-[(3-methylthiophen-2-yl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine is CCCNc1nc(NCc2sccc2C)nc(OC)n1.
What is the InChIKey of 6-methoxy-2-N-[(3-methylthiophen-2-yl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine?
The InChIKey is XWQJYSFSFOYTAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5OS/c1-4-6-14-11-16-12(18-13(17-11)19-3)15-8-10-9(2)5-7-20-10/h5,7H,4,6,8H2,1-3H3,(H2,14,15,16,17,18).
What are the key properties of 6-methoxy-2-N-[(3-methylthiophen-2-yl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine?
6-methoxy-2-N-[(3-methylthiophen-2-yl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine has a molecular weight of 293.40 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-N-[(3-methylthiophen-2-yl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80854981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).