2-(4,5-dibromothiophen-2-yl)-6-ethyl-N,5-dimethylpyrimidin-4-amine

C12H13Br2N3S — CID 102843905

IUPAC2-(4,5-dibromothiophen-2-yl)-6-ethyl-N,5-dimethylpyrimidin-4-amine
SMILESCCc1nc(-c2cc(Br)c(Br)s2)nc(NC)c1C
InChIInChI=1S/C12H13Br2N3S/c1-4-8-6(2)11(15-3)17-12(16-8)9-5-7(13)10(14)18-9/h5H,4H2,1-3H3,(H,15,16,17)
InChIKeyHMANXDRGSBZBSL-UHFFFAOYSA-N
MW391.13 g/mol
LogP4.64
Rot. Bonds3

About 2-(4,5-dibromothiophen-2-yl)-6-ethyl-N,5-dimethylpyrimidin-4-amine

2-(4,5-dibromothiophen-2-yl)-6-ethyl-N,5-dimethylpyrimidin-4-amine (PubChem CID 102843905) has the molecular formula C12H13Br2N3S and a molecular weight of 391.13 g/mol. Its IUPAC name is 2-(4,5-dibromothiophen-2-yl)-6-ethyl-N,5-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(4,5-dibromothiophen-2-yl)-6-ethyl-N,5-dimethylpyrimidin-4-amine
PubChem CID102843905
Molecular FormulaC12H13Br2N3S
Molecular Weight391.13 g/mol
Exact Mass388.92
IUPAC Name2-(4,5-dibromothiophen-2-yl)-6-ethyl-N,5-dimethylpyrimidin-4-amine
SMILESCCc1nc(-c2cc(Br)c(Br)s2)nc(NC)c1C
InChIInChI=1S/C12H13Br2N3S/c1-4-8-6(2)11(15-3)17-12(16-8)9-5-7(13)10(14)18-9/h5H,4H2,1-3H3,(H,15,16,17)
InChIKeyHMANXDRGSBZBSL-UHFFFAOYSA-N
XLogP4.64
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.13
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4,5-dibromothiophen-2-yl)-N,6-diethyl-5-methylpyrimidin-4-amine
CID 102843910
2-(4,5-dibromothiophen-2-yl)-N,6-diethyl-5-iodopyrimidin-4-amine
CID 102844007
5-bromo-2-(4,5-dibromothiophen-2-yl)-6-ethylpyrimidin-4-amine
CID 102843992
[2-(4,5-dibromothiophen-2-yl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine
CID 102844249
2-(4,5-dibromothiophen-2-yl)-N-ethyl-5-iodo-6-methylpyrimidin-4-amine
CID 102843946
5-bromo-2-(4,5-dibromothiophen-2-yl)-N-ethyl-6-(2-methylpropyl)pyrimidin-4-amine
CID 102844115
6-ethyl-N,5-dimethyl-2-pyrimidin-2-ylpyrimidin-4-amine
CID 63561722
2-(3,5-difluorophenyl)-6-ethyl-N,5-dimethylpyrimidin-4-amine
CID 63562473
2-(4,5-dibromothiophen-2-yl)-N-ethyl-5-iodo-6-(methoxymethyl)pyrimidin-4-amine
CID 102844049
5-bromo-2-(4,5-dibromothiophen-2-yl)-6-(methoxymethyl)-N-propylpyrimidin-4-amine
CID 102844042
2-(4-bromothiophen-2-yl)-N,6-diethyl-5-methylpyrimidin-4-amine
CID 63559863
6-ethyl-2-(4-ethylphenyl)-N,5-dimethylpyrimidin-4-amine
CID 63562088

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dibromothiophen-2-yl)-6-ethyl-N,5-dimethylpyrimidin-4-amine?
The IUPAC name of 2-(4,5-dibromothiophen-2-yl)-6-ethyl-N,5-dimethylpyrimidin-4-amine (CID 102843905) is 2-(4,5-dibromothiophen-2-yl)-6-ethyl-N,5-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-(4,5-dibromothiophen-2-yl)-6-ethyl-N,5-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-(4,5-dibromothiophen-2-yl)-6-ethyl-N,5-dimethylpyrimidin-4-amine is CCc1nc(-c2cc(Br)c(Br)s2)nc(NC)c1C.
What is the InChIKey of 2-(4,5-dibromothiophen-2-yl)-6-ethyl-N,5-dimethylpyrimidin-4-amine?
The InChIKey is HMANXDRGSBZBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Br2N3S/c1-4-8-6(2)11(15-3)17-12(16-8)9-5-7(13)10(14)18-9/h5H,4H2,1-3H3,(H,15,16,17).
What are the key properties of 2-(4,5-dibromothiophen-2-yl)-6-ethyl-N,5-dimethylpyrimidin-4-amine?
2-(4,5-dibromothiophen-2-yl)-6-ethyl-N,5-dimethylpyrimidin-4-amine has a molecular weight of 391.13 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dibromothiophen-2-yl)-6-ethyl-N,5-dimethylpyrimidin-4-amine is sourced from PubChem (CID 102843905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).