2-N,2-N-dimethyl-6-(thiophen-2-ylmethoxy)-1,3,5-triazine-2,4-diamine

C10H13N5OS — CID 80872117

IUPAC2-N,2-N-dimethyl-6-(thiophen-2-ylmethoxy)-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(N)nc(OCc2cccs2)n1
InChIInChI=1S/C10H13N5OS/c1-15(2)9-12-8(11)13-10(14-9)16-6-7-4-3-5-17-7/h3-5H,6H2,1-2H3,(H2,11,12,13,14)
InChIKeyLINWQVNOAIGDQS-UHFFFAOYSA-N
MW251.31 g/mol
LogP1.16
Rot. Bonds4

About 2-N,2-N-dimethyl-6-(thiophen-2-ylmethoxy)-1,3,5-triazine-2,4-diamine

2-N,2-N-dimethyl-6-(thiophen-2-ylmethoxy)-1,3,5-triazine-2,4-diamine (PubChem CID 80872117) has the molecular formula C10H13N5OS and a molecular weight of 251.31 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-6-(thiophen-2-ylmethoxy)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-6-(thiophen-2-ylmethoxy)-1,3,5-triazine-2,4-diamine
PubChem CID80872117
Molecular FormulaC10H13N5OS
Molecular Weight251.31 g/mol
Exact Mass251.08
IUPAC Name2-N,2-N-dimethyl-6-(thiophen-2-ylmethoxy)-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(N)nc(OCc2cccs2)n1
InChIInChI=1S/C10H13N5OS/c1-15(2)9-12-8(11)13-10(14-9)16-6-7-4-3-5-17-7/h3-5H,6H2,1-2H3,(H2,11,12,13,14)
InChIKeyLINWQVNOAIGDQS-UHFFFAOYSA-N
XLogP1.16
TPSA77.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-N-methyl-6-propoxy-2-N-(2-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine
CID 80849343
2-N,4-N,4-N-trimethyl-2-N-(1-thiophen-2-ylpropan-2-yl)-1,3,5-triazine-2,4,6-triamine
CID 80849728
4-propoxy-6-(2-thiophen-2-ylethoxy)-1,3,5-triazin-2-amine
CID 80873586
2-N,2-N-dimethyl-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine
CID 27396198
2-N,2-N-dimethyl-6-octoxy-1,3,5-triazine-2,4-diamine
CID 80861351
5-chloro-4-(thiophen-2-ylmethoxy)pyrimidin-2-amine
CID 80872356
6-methoxy-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 793255
6-methoxy-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80773315
2-N,2-N-dimethyl-6-[(1S)-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethyl]-1,3,5-triazine-2,4-diamine
CID 34709904
4-N-methyl-6-piperidin-1-yl-4-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80774971
2-(methoxymethyl)thiophene
CID 10240820
2-methyl-6-(thiophen-2-ylmethoxy)pyrimidin-4-amine
CID 80872816

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-6-(thiophen-2-ylmethoxy)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,2-N-dimethyl-6-(thiophen-2-ylmethoxy)-1,3,5-triazine-2,4-diamine (CID 80872117) is 2-N,2-N-dimethyl-6-(thiophen-2-ylmethoxy)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,2-N-dimethyl-6-(thiophen-2-ylmethoxy)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,2-N-dimethyl-6-(thiophen-2-ylmethoxy)-1,3,5-triazine-2,4-diamine is CN(C)c1nc(N)nc(OCc2cccs2)n1.
What is the InChIKey of 2-N,2-N-dimethyl-6-(thiophen-2-ylmethoxy)-1,3,5-triazine-2,4-diamine?
The InChIKey is LINWQVNOAIGDQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5OS/c1-15(2)9-12-8(11)13-10(14-9)16-6-7-4-3-5-17-7/h3-5H,6H2,1-2H3,(H2,11,12,13,14).
What are the key properties of 2-N,2-N-dimethyl-6-(thiophen-2-ylmethoxy)-1,3,5-triazine-2,4-diamine?
2-N,2-N-dimethyl-6-(thiophen-2-ylmethoxy)-1,3,5-triazine-2,4-diamine has a molecular weight of 251.31 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-6-(thiophen-2-ylmethoxy)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80872117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).