2-N,4-N-dimethyl-6-propan-2-yloxy-2-N-(thiophen-3-ylmethyl)-1,3,5-triazine-2,4-diamine

C13H19N5OS — CID 80781042

IUPAC2-N,4-N-dimethyl-6-propan-2-yloxy-2-N-(thiophen-3-ylmethyl)-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(OC(C)C)nc(N(C)Cc2ccsc2)n1
InChIInChI=1S/C13H19N5OS/c1-9(2)19-13-16-11(14-3)15-12(17-13)18(4)7-10-5-6-20-8-10/h5-6,8-9H,7H2,1-4H3,(H,14,15,16,17)
InChIKeyOMIOLBHKPVMDND-UHFFFAOYSA-N
MW293.40 g/mol
LogP2.40
Rot. Bonds6

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

2-N,4-N-dimethyl-6-propan-2-yloxy-2-N-(thiophen-3-ylmethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 80781042) has the molecular formula C13H19N5OS and a molecular weight of 293.40 g/mol. Its IUPAC name is 2-N,4-N-dimethyl-6-propan-2-yloxy-2-N-(thiophen-3-ylmethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-dimethyl-6-propan-2-yloxy-2-N-(thiophen-3-ylmethyl)-1,3,5-triazine-2,4-diamine
PubChem CID80781042
Molecular FormulaC13H19N5OS
Molecular Weight293.40 g/mol
Exact Mass293.13
IUPAC Name2-N,4-N-dimethyl-6-propan-2-yloxy-2-N-(thiophen-3-ylmethyl)-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(OC(C)C)nc(N(C)Cc2ccsc2)n1
InChIInChI=1S/C13H19N5OS/c1-9(2)19-13-16-11(14-3)15-12(17-13)18(4)7-10-5-6-20-8-10/h5-6,8-9H,7H2,1-4H3,(H,14,15,16,17)
InChIKeyOMIOLBHKPVMDND-UHFFFAOYSA-N
XLogP2.40
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-N,4-N-dimethyl-6-propan-2-yloxy-2-N-(thiophen-3-ylmethyl)-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

2-N,4-N-dimethyl-6-propan-2-yloxy-2-N-(2-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine
CID 80836580
N,N-dimethyl-2-[methyl-[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]acetamide
CID 80780568
2-N-cyclohexyl-2-N,4-N-dimethyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80762337
2-N,4-N-dimethyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80835644
2-N,4-N-dimethyl-2-N-(oxan-3-ylmethyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80818463
2-N,4-N-dimethyl-2-N-(3-methylphenyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80795763
4-hydrazinyl-N-methyl-6-propan-2-yloxy-N-(pyridin-2-ylmethyl)-1,3,5-triazin-2-amine
CID 80898355
6-chloro-2-N-methyl-2-N-(thiophen-3-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80781146
4-N-methyl-2-N-propan-2-yl-6-propan-2-yloxy-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
CID 80790304
2-N,4-N,4-N-trimethyl-2-N-(thiophen-3-ylmethyl)pyrimidine-2,4-diamine
CID 133383518
2-N-[(5-chlorothiophen-2-yl)methyl]-2-N,4-N-dimethyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80780610
6-ethoxy-2-N,4-N-dimethyl-2-N-(1-thiophen-2-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine
CID 80836777

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-dimethyl-6-propan-2-yloxy-2-N-(thiophen-3-ylmethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,4-N-dimethyl-6-propan-2-yloxy-2-N-(thiophen-3-ylmethyl)-1,3,5-triazine-2,4-diamine (CID 80781042) is 2-N,4-N-dimethyl-6-propan-2-yloxy-2-N-(thiophen-3-ylmethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-dimethyl-6-propan-2-yloxy-2-N-(thiophen-3-ylmethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,4-N-dimethyl-6-propan-2-yloxy-2-N-(thiophen-3-ylmethyl)-1,3,5-triazine-2,4-diamine is CNc1nc(OC(C)C)nc(N(C)Cc2ccsc2)n1.
What is the InChIKey of 2-N,4-N-dimethyl-6-propan-2-yloxy-2-N-(thiophen-3-ylmethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is OMIOLBHKPVMDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5OS/c1-9(2)19-13-16-11(14-3)15-12(17-13)18(4)7-10-5-6-20-8-10/h5-6,8-9H,7H2,1-4H3,(H,14,15,16,17).
What are the key properties of 2-N,4-N-dimethyl-6-propan-2-yloxy-2-N-(thiophen-3-ylmethyl)-1,3,5-triazine-2,4-diamine?
2-N,4-N-dimethyl-6-propan-2-yloxy-2-N-(thiophen-3-ylmethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 293.40 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-dimethyl-6-propan-2-yloxy-2-N-(thiophen-3-ylmethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80781042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).