6-methoxy-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine

C9H11N5OS — CID 80773315

IUPAC6-methoxy-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine
SMILESCOc1nc(N)nc(NCc2cccs2)n1
InChIInChI=1S/C9H11N5OS/c1-15-9-13-7(10)12-8(14-9)11-5-6-3-2-4-16-6/h2-4H,5H2,1H3,(H3,10,11,12,13,14)
InChIKeySEZNHFCYAOFBBI-UHFFFAOYSA-N
MW237.29 g/mol
LogP1.14
Rot. Bonds4

About 6-methoxy-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine

6-methoxy-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 80773315) has the molecular formula C9H11N5OS and a molecular weight of 237.29 g/mol. Its IUPAC name is 6-methoxy-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-methoxy-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine
PubChem CID80773315
Molecular FormulaC9H11N5OS
Molecular Weight237.29 g/mol
Exact Mass237.07
IUPAC Name6-methoxy-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine
SMILESCOc1nc(N)nc(NCc2cccs2)n1
InChIInChI=1S/C9H11N5OS/c1-15-9-13-7(10)12-8(14-9)11-5-6-3-2-4-16-6/h2-4H,5H2,1H3,(H3,10,11,12,13,14)
InChIKeySEZNHFCYAOFBBI-UHFFFAOYSA-N
XLogP1.14
TPSA85.95 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 ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-methoxy-4-N-methyl-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80773310
6-methoxy-2-N-(1,3-thiazol-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80807450
6-methoxy-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 103817433
4-hydrazinyl-6-methoxy-N-(2-thiophen-2-ylethyl)-1,3,5-triazin-2-amine
CID 80943741
6-methoxy-2-N-(pyridin-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80777487
6-methoxy-2-N-(1,2-oxazol-5-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 106424499
N-ethyl-4-methoxy-6-(2-thiophen-2-ylethoxy)-1,3,5-triazin-2-amine
CID 80873852
6-methoxy-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 80829595
6-N-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4,6-triamine
CID 80774344
4,6-dimethoxy-N-(1-thiophen-2-ylpropan-2-yl)-1,3,5-triazin-2-amine
CID 63291908
2-N-[2-(5-chlorothiophen-2-yl)ethyl]-6-methoxy-1,3,5-triazine-2,4-diamine
CID 114139975
6-methoxy-2-N-[(4-methyl-3-pyridinyl)methyl]-1,3,5-triazine-2,4-diamine
CID 114957865

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-methoxy-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine (CID 80773315) is 6-methoxy-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-methoxy-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-methoxy-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine is COc1nc(N)nc(NCc2cccs2)n1.
What is the InChIKey of 6-methoxy-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is SEZNHFCYAOFBBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5OS/c1-15-9-13-7(10)12-8(14-9)11-5-6-3-2-4-16-6/h2-4H,5H2,1H3,(H3,10,11,12,13,14).
What are the key properties of 6-methoxy-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine?
6-methoxy-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 237.29 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80773315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).