6-(2-fluoropropan-2-yl)-2-N-(1-thiophen-2-ylpropyl)-1,3,5-triazine-2,4-diamine

C13H18FN5S — CID 10859400

IUPAC6-(2-fluoropropan-2-yl)-2-N-(1-thiophen-2-ylpropyl)-1,3,5-triazine-2,4-diamine
SMILESCCC(Nc1nc(N)nc(C(C)(C)F)n1)c1cccs1
InChIInChI=1S/C13H18FN5S/c1-4-8(9-6-5-7-20-9)16-12-18-10(13(2,3)14)17-11(15)19-12/h5-8H,4H2,1-3H3,(H3,15,16,17,18,19)
InChIKeyBMJVSVUQQOGLPQ-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.28
Rot. Bonds5

About 6-(2-fluoropropan-2-yl)-2-N-(1-thiophen-2-ylpropyl)-1,3,5-triazine-2,4-diamine

6-(2-fluoropropan-2-yl)-2-N-(1-thiophen-2-ylpropyl)-1,3,5-triazine-2,4-diamine (PubChem CID 10859400) has the molecular formula C13H18FN5S and a molecular weight of 295.39 g/mol. Its IUPAC name is 6-(2-fluoropropan-2-yl)-2-N-(1-thiophen-2-ylpropyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(2-fluoropropan-2-yl)-2-N-(1-thiophen-2-ylpropyl)-1,3,5-triazine-2,4-diamine
PubChem CID10859400
Molecular FormulaC13H18FN5S
Molecular Weight295.39 g/mol
Exact Mass295.13
IUPAC Name6-(2-fluoropropan-2-yl)-2-N-(1-thiophen-2-ylpropyl)-1,3,5-triazine-2,4-diamine
SMILESCCC(Nc1nc(N)nc(C(C)(C)F)n1)c1cccs1
InChIInChI=1S/C13H18FN5S/c1-4-8(9-6-5-7-20-9)16-12-18-10(13(2,3)14)17-11(15)19-12/h5-8H,4H2,1-3H3,(H3,15,16,17,18,19)
InChIKeyBMJVSVUQQOGLPQ-UHFFFAOYSA-N
XLogP3.28
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-(2-fluoropropan-2-yl)-2-N-(1-thiophen-2-ylpropyl)-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

6-(1,2,2,2-tetrafluoroethyl)-2-N-(1-thiophen-2-ylpropyl)-1,3,5-triazine-2,4-diamine
CID 59874342
2-N,2-N-dimethyl-4-N-(1-thiophen-2-ylpropyl)-1,3,5-triazine-2,4,6-triamine
CID 80807202
2-tert-butyl-4-N-(1-thiophen-2-ylpropyl)pyrimidine-4,6-diamine
CID 80961783
6-(2-fluoropropan-2-yl)-2-N-(3-methyl-4-phenylbutan-2-yl)-1,3,5-triazine-2,4-diamine
CID 20682197
2-N-(2-methoxy-1-thiophen-2-ylethyl)-6-methyl-1,3,5-triazine-2,4-diamine
CID 59874344
6-(2-fluoropropan-2-yl)-2-N-(4-pyridin-2-ylbutan-2-yl)-1,3,5-triazine-2,4-diamine
CID 20682190
4-hydrazinyl-6-propan-2-yloxy-N-(1-thiophen-2-ylpropyl)-1,3,5-triazin-2-amine
CID 80901589
2-N-ethyl-5-fluoro-4-N-(1-thiophen-2-ylpropyl)pyrimidine-2,4-diamine
CID 80807510
2-fluoro-N-(1-thiophen-2-ylpropyl)-5-(trifluoromethyl)aniline
CID 63462752
2-(difluoromethyl)-1-N-(1-thiophen-2-ylpropyl)benzene-1,4-diamine
CID 63734094
4-N-(1-thiophen-2-ylpropyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine-2,4-diamine;dihydrochloride
CID 154885577
6-ethoxy-2-N-(1-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine
CID 80780976

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoropropan-2-yl)-2-N-(1-thiophen-2-ylpropyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(2-fluoropropan-2-yl)-2-N-(1-thiophen-2-ylpropyl)-1,3,5-triazine-2,4-diamine (CID 10859400) is 6-(2-fluoropropan-2-yl)-2-N-(1-thiophen-2-ylpropyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(2-fluoropropan-2-yl)-2-N-(1-thiophen-2-ylpropyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(2-fluoropropan-2-yl)-2-N-(1-thiophen-2-ylpropyl)-1,3,5-triazine-2,4-diamine is CCC(Nc1nc(N)nc(C(C)(C)F)n1)c1cccs1.
What is the InChIKey of 6-(2-fluoropropan-2-yl)-2-N-(1-thiophen-2-ylpropyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is BMJVSVUQQOGLPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN5S/c1-4-8(9-6-5-7-20-9)16-12-18-10(13(2,3)14)17-11(15)19-12/h5-8H,4H2,1-3H3,(H3,15,16,17,18,19).
What are the key properties of 6-(2-fluoropropan-2-yl)-2-N-(1-thiophen-2-ylpropyl)-1,3,5-triazine-2,4-diamine?
6-(2-fluoropropan-2-yl)-2-N-(1-thiophen-2-ylpropyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 295.39 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoropropan-2-yl)-2-N-(1-thiophen-2-ylpropyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 10859400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).