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

C14H21N5OS — CID 80836580

IUPAC2-N,4-N-dimethyl-6-propan-2-yloxy-2-N-(2-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(OC(C)C)nc(N(C)CCc2cccs2)n1
InChIInChI=1S/C14H21N5OS/c1-10(2)20-14-17-12(15-3)16-13(18-14)19(4)8-7-11-6-5-9-21-11/h5-6,9-10H,7-8H2,1-4H3,(H,15,16,17,18)
InChIKeyFELAQSQPHQYZOO-UHFFFAOYSA-N
MW307.42 g/mol
LogP2.44
Rot. Bonds7

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

2-N,4-N-dimethyl-6-propan-2-yloxy-2-N-(2-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 80836580) has the molecular formula C14H21N5OS and a molecular weight of 307.42 g/mol. Its IUPAC name is 2-N,4-N-dimethyl-6-propan-2-yloxy-2-N-(2-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-dimethyl-6-propan-2-yloxy-2-N-(2-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine
PubChem CID80836580
Molecular FormulaC14H21N5OS
Molecular Weight307.42 g/mol
Exact Mass307.15
IUPAC Name2-N,4-N-dimethyl-6-propan-2-yloxy-2-N-(2-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(OC(C)C)nc(N(C)CCc2cccs2)n1
InChIInChI=1S/C14H21N5OS/c1-10(2)20-14-17-12(15-3)16-13(18-14)19(4)8-7-11-6-5-9-21-11/h5-6,9-10H,7-8H2,1-4H3,(H,15,16,17,18)
InChIKeyFELAQSQPHQYZOO-UHFFFAOYSA-N
XLogP2.44
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Launch Full Analysis

Related Compounds

6-ethoxy-4-N-ethyl-2-N-methyl-2-N-(2-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine
CID 80837827
2-N,4-N-dimethyl-6-propan-2-yloxy-2-N-(thiophen-3-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80781042
4-N-methyl-6-propan-2-yloxy-2-N-(1-thiophen-2-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine
CID 80813456
6-ethoxy-2-N,4-N-dimethyl-2-N-(1-thiophen-2-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine
CID 80836777
2-N-[2-[4-[[4-amino-6-[methyl(2-thiophen-2-ylethyl)amino]-1,3,5-triazin-2-yl]amino]thiophen-2-yl]ethyl]-2-N,4-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 146588690
N,N-dimethyl-2-[methyl-[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]acetamide
CID 80780568
6-methoxy-2-N,4-N-dimethyl-2-N-(3-methylbutyl)-1,3,5-triazine-2,4-diamine
CID 80796703
2-N-methyl-6-propoxy-2-N-(2-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine
CID 80849343
4-ethoxy-N-methyl-6-(2-thiophen-2-ylethoxy)-1,3,5-triazin-2-amine
CID 80873581
2-N,4-N-dimethyl-2-N-(3-methylphenyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80795763
6-methoxy-4-N-methyl-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80773310
2-N,4-N-dimethyl-2-N-(oxan-3-ylmethyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80818463

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-dimethyl-6-propan-2-yloxy-2-N-(2-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,4-N-dimethyl-6-propan-2-yloxy-2-N-(2-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine (CID 80836580) is 2-N,4-N-dimethyl-6-propan-2-yloxy-2-N-(2-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-dimethyl-6-propan-2-yloxy-2-N-(2-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,4-N-dimethyl-6-propan-2-yloxy-2-N-(2-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine is CNc1nc(OC(C)C)nc(N(C)CCc2cccs2)n1.
What is the InChIKey of 2-N,4-N-dimethyl-6-propan-2-yloxy-2-N-(2-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is FELAQSQPHQYZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5OS/c1-10(2)20-14-17-12(15-3)16-13(18-14)19(4)8-7-11-6-5-9-21-11/h5-6,9-10H,7-8H2,1-4H3,(H,15,16,17,18).
What are the key properties of 2-N,4-N-dimethyl-6-propan-2-yloxy-2-N-(2-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine?
2-N,4-N-dimethyl-6-propan-2-yloxy-2-N-(2-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 307.42 g/mol, XLogP of 2.44, 7 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-(2-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80836580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).