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

C10H12BrN5OS — CID 80806010

IUPAC2-N-[(4-bromothiophen-2-yl)methyl]-6-methoxy-2-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCOc1nc(N)nc(N(C)Cc2cc(Br)cs2)n1
InChIInChI=1S/C10H12BrN5OS/c1-16(4-7-3-6(11)5-18-7)9-13-8(12)14-10(15-9)17-2/h3,5H,4H2,1-2H3,(H2,12,13,14,15)
InChIKeyYEWBXOLZYWGRGP-UHFFFAOYSA-N
MW330.21 g/mol
LogP1.92
Rot. Bonds4

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

2-N-[(4-bromothiophen-2-yl)methyl]-6-methoxy-2-N-methyl-1,3,5-triazine-2,4-diamine (PubChem CID 80806010) has the molecular formula C10H12BrN5OS and a molecular weight of 330.21 g/mol. Its IUPAC name is 2-N-[(4-bromothiophen-2-yl)methyl]-6-methoxy-2-N-methyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[(4-bromothiophen-2-yl)methyl]-6-methoxy-2-N-methyl-1,3,5-triazine-2,4-diamine
PubChem CID80806010
Molecular FormulaC10H12BrN5OS
Molecular Weight330.21 g/mol
Exact Mass328.99
IUPAC Name2-N-[(4-bromothiophen-2-yl)methyl]-6-methoxy-2-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCOc1nc(N)nc(N(C)Cc2cc(Br)cs2)n1
InChIInChI=1S/C10H12BrN5OS/c1-16(4-7-3-6(11)5-18-7)9-13-8(12)14-10(15-9)17-2/h3,5H,4H2,1-2H3,(H2,12,13,14,15)
InChIKeyYEWBXOLZYWGRGP-UHFFFAOYSA-N
XLogP1.92
TPSA77.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.21
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

6-methoxy-2-N-methyl-2-N-[(5-methylfuran-2-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 80781898
2-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)-methylamino]ethanol
CID 80772588
2-N-[(5-bromothiophen-3-yl)methyl]-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 80805230
2-[(4-bromothiophen-2-yl)methyl-methylamino]-6-methylpyrimidine-4-carboxylic acid
CID 107553737
4-N-[(4-bromothiophen-2-yl)methyl]-4-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80805934
[2-[(4-bromothiophen-2-yl)methyl-methylamino]pyrimidin-5-yl]methanol
CID 113387842
4-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-3-methoxyaniline
CID 107208324
[2-[(4-bromothiophen-2-yl)methyl-methylamino]-4-methylpyrimidin-5-yl]methanol
CID 83183767
4-N-[(4-bromothiophen-2-yl)methyl]-4-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771349
5-bromo-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 64623899
4-(1-aminoethyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1,3-thiazol-2-amine
CID 64543755
4-N-[(4-bromothiophen-2-yl)methyl]-4-N-methylpyrimidine-4,5-diamine
CID 79915755

Frequently Asked Questions

What is the IUPAC name of 2-N-[(4-bromothiophen-2-yl)methyl]-6-methoxy-2-N-methyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[(4-bromothiophen-2-yl)methyl]-6-methoxy-2-N-methyl-1,3,5-triazine-2,4-diamine (CID 80806010) is 2-N-[(4-bromothiophen-2-yl)methyl]-6-methoxy-2-N-methyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[(4-bromothiophen-2-yl)methyl]-6-methoxy-2-N-methyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[(4-bromothiophen-2-yl)methyl]-6-methoxy-2-N-methyl-1,3,5-triazine-2,4-diamine is COc1nc(N)nc(N(C)Cc2cc(Br)cs2)n1.
What is the InChIKey of 2-N-[(4-bromothiophen-2-yl)methyl]-6-methoxy-2-N-methyl-1,3,5-triazine-2,4-diamine?
The InChIKey is YEWBXOLZYWGRGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN5OS/c1-16(4-7-3-6(11)5-18-7)9-13-8(12)14-10(15-9)17-2/h3,5H,4H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 2-N-[(4-bromothiophen-2-yl)methyl]-6-methoxy-2-N-methyl-1,3,5-triazine-2,4-diamine?
2-N-[(4-bromothiophen-2-yl)methyl]-6-methoxy-2-N-methyl-1,3,5-triazine-2,4-diamine has a molecular weight of 330.21 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(4-bromothiophen-2-yl)methyl]-6-methoxy-2-N-methyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80806010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).