6-methoxy-4-N-methyl-2-N-thiophen-3-yl-1,3,5-triazine-2,4-diamine

C9H11N5OS — CID 80850377

IUPAC6-methoxy-4-N-methyl-2-N-thiophen-3-yl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(Nc2ccsc2)nc(OC)n1
InChIInChI=1S/C9H11N5OS/c1-10-7-12-8(14-9(13-7)15-2)11-6-3-4-16-5-6/h3-5H,1-2H3,(H2,10,11,12,13,14)
InChIKeyZKVGDYCDGUCXGO-UHFFFAOYSA-N
MW237.29 g/mol
LogP1.73
Rot. Bonds4

About 6-methoxy-4-N-methyl-2-N-thiophen-3-yl-1,3,5-triazine-2,4-diamine

6-methoxy-4-N-methyl-2-N-thiophen-3-yl-1,3,5-triazine-2,4-diamine (PubChem CID 80850377) has the molecular formula C9H11N5OS and a molecular weight of 237.29 g/mol. Its IUPAC name is 6-methoxy-4-N-methyl-2-N-thiophen-3-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-methoxy-4-N-methyl-2-N-thiophen-3-yl-1,3,5-triazine-2,4-diamine
PubChem CID80850377
Molecular FormulaC9H11N5OS
Molecular Weight237.29 g/mol
Exact Mass237.07
IUPAC Name6-methoxy-4-N-methyl-2-N-thiophen-3-yl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(Nc2ccsc2)nc(OC)n1
InChIInChI=1S/C9H11N5OS/c1-10-7-12-8(14-9(13-7)15-2)11-6-3-4-16-5-6/h3-5H,1-2H3,(H2,10,11,12,13,14)
InChIKeyZKVGDYCDGUCXGO-UHFFFAOYSA-N
XLogP1.73
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.29
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-N-(3,5-difluorophenyl)-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80762233
2-N,6-dimethyl-4-N-thiophen-3-ylpyrimidine-2,4-diamine
CID 80850538
6-methoxy-4-N-methyl-2-N-(4-propoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 80799796
2-N-(4-methoxyphenyl)-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80758431
N-methylthiophen-3-amine
CID 642344
6-methoxy-4-N-methyl-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80773310
6-methoxy-2-N-(2-methoxy-5-methylphenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80762691
N-(4-fluorophenyl)-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 2796483
4-methoxy-6-[(3-methoxyphenyl)methoxy]-N-methyl-1,3,5-triazin-2-amine
CID 80868535
2-N-(2,6-dichloro-4-fluorophenyl)-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 83081294
2-N-(1-benzothiophen-5-yl)-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80828180
N-[4-[2-[4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]phenyl]ethenyl]phenyl]-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 70617138

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4-N-methyl-2-N-thiophen-3-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-methoxy-4-N-methyl-2-N-thiophen-3-yl-1,3,5-triazine-2,4-diamine (CID 80850377) is 6-methoxy-4-N-methyl-2-N-thiophen-3-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-methoxy-4-N-methyl-2-N-thiophen-3-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-methoxy-4-N-methyl-2-N-thiophen-3-yl-1,3,5-triazine-2,4-diamine is CNc1nc(Nc2ccsc2)nc(OC)n1.
What is the InChIKey of 6-methoxy-4-N-methyl-2-N-thiophen-3-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is ZKVGDYCDGUCXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5OS/c1-10-7-12-8(14-9(13-7)15-2)11-6-3-4-16-5-6/h3-5H,1-2H3,(H2,10,11,12,13,14).
What are the key properties of 6-methoxy-4-N-methyl-2-N-thiophen-3-yl-1,3,5-triazine-2,4-diamine?
6-methoxy-4-N-methyl-2-N-thiophen-3-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 237.29 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-N-methyl-2-N-thiophen-3-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80850377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).