5-bromo-2-(5,6-dimethyl-1,4-dithian-2-yl)-N,6-dimethylpyrimidin-4-amine

C12H18BrN3S2 — CID 103346631

IUPAC5-bromo-2-(5,6-dimethyl-1,4-dithian-2-yl)-N,6-dimethylpyrimidin-4-amine
SMILESCNc1nc(C2CSC(C)C(C)S2)nc(C)c1Br
InChIInChI=1S/C12H18BrN3S2/c1-6-10(13)12(14-4)16-11(15-6)9-5-17-7(2)8(3)18-9/h7-9H,5H2,1-4H3,(H,14,15,16)
InChIKeyURNDLAMWTOJEBS-UHFFFAOYSA-N
MW348.34 g/mol
LogP3.89
Rot. Bonds2

About 5-bromo-2-(5,6-dimethyl-1,4-dithian-2-yl)-N,6-dimethylpyrimidin-4-amine

5-bromo-2-(5,6-dimethyl-1,4-dithian-2-yl)-N,6-dimethylpyrimidin-4-amine (PubChem CID 103346631) has the molecular formula C12H18BrN3S2 and a molecular weight of 348.34 g/mol. Its IUPAC name is 5-bromo-2-(5,6-dimethyl-1,4-dithian-2-yl)-N,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(5,6-dimethyl-1,4-dithian-2-yl)-N,6-dimethylpyrimidin-4-amine
PubChem CID103346631
Molecular FormulaC12H18BrN3S2
Molecular Weight348.34 g/mol
Exact Mass347.01
IUPAC Name5-bromo-2-(5,6-dimethyl-1,4-dithian-2-yl)-N,6-dimethylpyrimidin-4-amine
SMILESCNc1nc(C2CSC(C)C(C)S2)nc(C)c1Br
InChIInChI=1S/C12H18BrN3S2/c1-6-10(13)12(14-4)16-11(15-6)9-5-17-7(2)8(3)18-9/h7-9H,5H2,1-4H3,(H,14,15,16)
InChIKeyURNDLAMWTOJEBS-UHFFFAOYSA-N
XLogP3.89
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.34
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-4-chloro-2-(5,6-dimethyl-1,4-dithian-2-yl)-6-methylpyrimidine
CID 103344676
6-cyclopropyl-2-(5,6-dimethyl-1,4-dithian-2-yl)-5-iodo-N-methylpyrimidin-4-amine
CID 103346677
2-(5,6-dimethyl-1,4-dithian-2-yl)-N-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 103346619
2-(5,6-dimethyl-1,4-dithian-2-yl)-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 103346666
3-[2-(5,6-dimethyl-1,4-dithian-2-yl)-4,6-dimethylpyrimidin-5-yl]-N-methylpropan-1-amine
CID 103346829
2-(5,6-dimethyl-1,4-dithian-2-yl)-N-ethyl-6-methyl-5-propan-2-ylpyrimidin-4-amine
CID 103346617
5-bromo-3-(5,6-dimethyl-1,4-dithian-2-yl)-1,2,4-thiadiazole
CID 103347020
5-bromo-6-tert-butyl-2-(5,6-dimethyl-1,4-dithian-2-yl)pyrimidin-4-amine
CID 103346644
2-(5,6-dimethyl-1,4-dithian-2-yl)-6-ethyl-5-methyl-N-propylpyrimidin-4-amine
CID 103346626
5-bromo-N,6-dimethyl-2-(3-methylcyclohexyl)pyrimidin-4-amine
CID 66307658
2-(5,6-dimethyl-1,4-dithian-2-yl)-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine
CID 103346661
2-(5,6-dimethyl-1,4-dithian-2-yl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine
CID 103346655

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(5,6-dimethyl-1,4-dithian-2-yl)-N,6-dimethylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(5,6-dimethyl-1,4-dithian-2-yl)-N,6-dimethylpyrimidin-4-amine (CID 103346631) is 5-bromo-2-(5,6-dimethyl-1,4-dithian-2-yl)-N,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(5,6-dimethyl-1,4-dithian-2-yl)-N,6-dimethylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(5,6-dimethyl-1,4-dithian-2-yl)-N,6-dimethylpyrimidin-4-amine is CNc1nc(C2CSC(C)C(C)S2)nc(C)c1Br.
What is the InChIKey of 5-bromo-2-(5,6-dimethyl-1,4-dithian-2-yl)-N,6-dimethylpyrimidin-4-amine?
The InChIKey is URNDLAMWTOJEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3S2/c1-6-10(13)12(14-4)16-11(15-6)9-5-17-7(2)8(3)18-9/h7-9H,5H2,1-4H3,(H,14,15,16).
What are the key properties of 5-bromo-2-(5,6-dimethyl-1,4-dithian-2-yl)-N,6-dimethylpyrimidin-4-amine?
5-bromo-2-(5,6-dimethyl-1,4-dithian-2-yl)-N,6-dimethylpyrimidin-4-amine has a molecular weight of 348.34 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(5,6-dimethyl-1,4-dithian-2-yl)-N,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 103346631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).