2-N-[(3-bromothiophen-2-yl)methyl]-6-propan-2-yl-1,3,5-triazine-2,4-diamine

C11H14BrN5S — CID 112746298

IUPAC2-N-[(3-bromothiophen-2-yl)methyl]-6-propan-2-yl-1,3,5-triazine-2,4-diamine
SMILESCC(C)c1nc(N)nc(NCc2sccc2Br)n1
InChIInChI=1S/C11H14BrN5S/c1-6(2)9-15-10(13)17-11(16-9)14-5-8-7(12)3-4-18-8/h3-4,6H,5H2,1-2H3,(H3,13,14,15,16,17)
InChIKeyJVFFTOAJYUICMY-UHFFFAOYSA-N
MW328.24 g/mol
LogP3.01
Rot. Bonds4

About 2-N-[(3-bromothiophen-2-yl)methyl]-6-propan-2-yl-1,3,5-triazine-2,4-diamine

2-N-[(3-bromothiophen-2-yl)methyl]-6-propan-2-yl-1,3,5-triazine-2,4-diamine (PubChem CID 112746298) has the molecular formula C11H14BrN5S and a molecular weight of 328.24 g/mol. Its IUPAC name is 2-N-[(3-bromothiophen-2-yl)methyl]-6-propan-2-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[(3-bromothiophen-2-yl)methyl]-6-propan-2-yl-1,3,5-triazine-2,4-diamine
PubChem CID112746298
Molecular FormulaC11H14BrN5S
Molecular Weight328.24 g/mol
Exact Mass327.02
IUPAC Name2-N-[(3-bromothiophen-2-yl)methyl]-6-propan-2-yl-1,3,5-triazine-2,4-diamine
SMILESCC(C)c1nc(N)nc(NCc2sccc2Br)n1
InChIInChI=1S/C11H14BrN5S/c1-6(2)9-15-10(13)17-11(16-9)14-5-8-7(12)3-4-18-8/h3-4,6H,5H2,1-2H3,(H3,13,14,15,16,17)
InChIKeyJVFFTOAJYUICMY-UHFFFAOYSA-N
XLogP3.01
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.24
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-N-[(3-bromothiophen-2-yl)methyl]-6-propan-2-yl-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

4-N-[(3-bromothiophen-2-yl)methyl]-6-N-methylpyrimidine-2,4,6-triamine
CID 80852044
2-N-ethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine
CID 130532627
2-N-[(3-bromothiophen-2-yl)methyl]pyrazine-2,5-diamine
CID 80652753
4-N-[(3-bromothiophen-2-yl)methyl]-2-tert-butyl-5-methylpyrimidine-4,6-diamine
CID 80992322
N-[(3-bromothiophen-2-yl)methyl]-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 104739552
2-N-[(3-bromothiophen-2-yl)methyl]-4-chlorobenzene-1,2-diamine
CID 115469151
N-[(3-bromothiophen-2-yl)methyl]-5,6-dimethylpyrazin-2-amine
CID 114476013
N-[(3-bromothiophen-2-yl)methyl]-1,4-dimethylimidazol-2-amine
CID 106577745
4-N-[(3-bromothiophen-2-yl)methyl]-6-N,2-dimethylpyrimidine-4,6-diamine
CID 80851890
N-[(3-bromothiophen-2-yl)methyl]-4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80929302
N-[(3-bromothiophen-2-yl)methyl]-5-chloropyridin-2-amine
CID 79035166
N-[(3-bromothiophen-2-yl)methyl]-4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80930025

Frequently Asked Questions

What is the IUPAC name of 2-N-[(3-bromothiophen-2-yl)methyl]-6-propan-2-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[(3-bromothiophen-2-yl)methyl]-6-propan-2-yl-1,3,5-triazine-2,4-diamine (CID 112746298) is 2-N-[(3-bromothiophen-2-yl)methyl]-6-propan-2-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[(3-bromothiophen-2-yl)methyl]-6-propan-2-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[(3-bromothiophen-2-yl)methyl]-6-propan-2-yl-1,3,5-triazine-2,4-diamine is CC(C)c1nc(N)nc(NCc2sccc2Br)n1.
What is the InChIKey of 2-N-[(3-bromothiophen-2-yl)methyl]-6-propan-2-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is JVFFTOAJYUICMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN5S/c1-6(2)9-15-10(13)17-11(16-9)14-5-8-7(12)3-4-18-8/h3-4,6H,5H2,1-2H3,(H3,13,14,15,16,17).
What are the key properties of 2-N-[(3-bromothiophen-2-yl)methyl]-6-propan-2-yl-1,3,5-triazine-2,4-diamine?
2-N-[(3-bromothiophen-2-yl)methyl]-6-propan-2-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 328.24 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(3-bromothiophen-2-yl)methyl]-6-propan-2-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 112746298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).