4-N-methyl-6-propan-2-yloxy-2-N-(1-thiophen-2-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine

C14H21N5OS — CID 80813456

IUPAC4-N-methyl-6-propan-2-yloxy-2-N-(1-thiophen-2-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(NC(C)Cc2cccs2)nc(OC(C)C)n1
InChIInChI=1S/C14H21N5OS/c1-9(2)20-14-18-12(15-4)17-13(19-14)16-10(3)8-11-6-5-7-21-11/h5-7,9-10H,8H2,1-4H3,(H2,15,16,17,18,19)
InChIKeyWUFGNKPYLOXJKK-UHFFFAOYSA-N
MW307.42 g/mol
LogP2.81
Rot. Bonds7

About 4-N-methyl-6-propan-2-yloxy-2-N-(1-thiophen-2-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine

4-N-methyl-6-propan-2-yloxy-2-N-(1-thiophen-2-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 80813456) has the molecular formula C14H21N5OS and a molecular weight of 307.42 g/mol. Its IUPAC name is 4-N-methyl-6-propan-2-yloxy-2-N-(1-thiophen-2-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-methyl-6-propan-2-yloxy-2-N-(1-thiophen-2-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine
PubChem CID80813456
Molecular FormulaC14H21N5OS
Molecular Weight307.42 g/mol
Exact Mass307.15
IUPAC Name4-N-methyl-6-propan-2-yloxy-2-N-(1-thiophen-2-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(NC(C)Cc2cccs2)nc(OC(C)C)n1
InChIInChI=1S/C14H21N5OS/c1-9(2)20-14-18-12(15-4)17-13(19-14)16-10(3)8-11-6-5-7-21-11/h5-7,9-10H,8H2,1-4H3,(H2,15,16,17,18,19)
InChIKeyWUFGNKPYLOXJKK-UHFFFAOYSA-N
XLogP2.81
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4,6-dimethoxy-N-(1-thiophen-2-ylpropan-2-yl)-1,3,5-triazin-2-amine
CID 63291908
2-N,4-N-dimethyl-6-propan-2-yloxy-2-N-(2-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine
CID 80836580
6-chloro-4-N-propyl-2-N-(1-thiophen-2-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine
CID 80829700
6-ethoxy-2-N,4-N-dimethyl-2-N-(1-thiophen-2-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine
CID 80836777
6-methoxy-4-N-methyl-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80773310
4-hydrazinyl-6-propan-2-yloxy-N-(1-thiophen-2-ylpropyl)-1,3,5-triazin-2-amine
CID 80901589
6-fluoro-N-(1-thiophen-2-ylpropan-2-yl)pyridin-2-amine
CID 61397753
6-ethoxy-4-N-methyl-2-N-(1-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine
CID 80781075
N-(1-thiophen-2-ylpropan-2-yl)pyridin-4-amine
CID 63292001
5-fluoro-4-methoxy-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-2-amine
CID 135109642
4-chloro-6-pyrrolidin-1-yl-N-(1-thiophen-2-ylpropan-2-yl)-1,3,5-triazin-2-amine
CID 63292587
4-methyl-1-propan-2-yl-N-(1-thiophen-2-ylpropan-2-yl)imidazol-2-amine
CID 106573480

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-6-propan-2-yloxy-2-N-(1-thiophen-2-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-methyl-6-propan-2-yloxy-2-N-(1-thiophen-2-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine (CID 80813456) is 4-N-methyl-6-propan-2-yloxy-2-N-(1-thiophen-2-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-methyl-6-propan-2-yloxy-2-N-(1-thiophen-2-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-methyl-6-propan-2-yloxy-2-N-(1-thiophen-2-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine is CNc1nc(NC(C)Cc2cccs2)nc(OC(C)C)n1.
What is the InChIKey of 4-N-methyl-6-propan-2-yloxy-2-N-(1-thiophen-2-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is WUFGNKPYLOXJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5OS/c1-9(2)20-14-18-12(15-4)17-13(19-14)16-10(3)8-11-6-5-7-21-11/h5-7,9-10H,8H2,1-4H3,(H2,15,16,17,18,19).
What are the key properties of 4-N-methyl-6-propan-2-yloxy-2-N-(1-thiophen-2-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine?
4-N-methyl-6-propan-2-yloxy-2-N-(1-thiophen-2-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 307.42 g/mol, XLogP of 2.81, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-6-propan-2-yloxy-2-N-(1-thiophen-2-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80813456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).