6-tert-butyl-2-(4,5-dibromothiophen-2-yl)pyrimidin-4-amine

C12H13Br2N3S — CID 102843839

IUPAC6-tert-butyl-2-(4,5-dibromothiophen-2-yl)pyrimidin-4-amine
SMILESCC(C)(C)c1cc(N)nc(-c2cc(Br)c(Br)s2)n1
InChIInChI=1S/C12H13Br2N3S/c1-12(2,3)8-5-9(15)17-11(16-8)7-4-6(13)10(14)18-7/h4-5H,1-3H3,(H2,15,16,17)
InChIKeyIKUOZTLUFCJGAK-UHFFFAOYSA-N
MW391.13 g/mol
LogP4.61
Rot. Bonds1

About 6-tert-butyl-2-(4,5-dibromothiophen-2-yl)pyrimidin-4-amine

6-tert-butyl-2-(4,5-dibromothiophen-2-yl)pyrimidin-4-amine (PubChem CID 102843839) has the molecular formula C12H13Br2N3S and a molecular weight of 391.13 g/mol. Its IUPAC name is 6-tert-butyl-2-(4,5-dibromothiophen-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-tert-butyl-2-(4,5-dibromothiophen-2-yl)pyrimidin-4-amine
PubChem CID102843839
Molecular FormulaC12H13Br2N3S
Molecular Weight391.13 g/mol
Exact Mass388.92
IUPAC Name6-tert-butyl-2-(4,5-dibromothiophen-2-yl)pyrimidin-4-amine
SMILESCC(C)(C)c1cc(N)nc(-c2cc(Br)c(Br)s2)n1
InChIInChI=1S/C12H13Br2N3S/c1-12(2,3)8-5-9(15)17-11(16-8)7-4-6(13)10(14)18-7/h4-5H,1-3H3,(H2,15,16,17)
InChIKeyIKUOZTLUFCJGAK-UHFFFAOYSA-N
XLogP4.61
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.13
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-6-tert-butyl-2-(4,5-dibromothiophen-2-yl)pyrimidin-4-amine
CID 102843975
2-(4-bromophenyl)-6-tert-butylpyrimidin-4-amine
CID 62191727
2-(4,5-dibromothiophen-2-yl)pyrimidin-4-amine
CID 102843849
5-bromo-2-(4,5-dibromothiophen-2-yl)-6-ethylpyrimidin-4-amine
CID 102843992
6-tert-butyl-2-chloropyrimidin-4-amine
CID 58008872
6-tert-butyl-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine
CID 104771374
[2-(4,5-dibromothiophen-2-yl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine
CID 102844249
4,6-ditert-butylpyridin-2-amine
CID 166788497
2-[5-(4,5-dibromothiophen-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 80538836
6-tert-butyl-2-naphthalen-1-ylpyrimidin-4-amine
CID 62203346
6-tert-butyl-2-(2-methylpyrimidin-4-yl)pyrimidin-4-amine
CID 115528413
2,3-dibromo-5-(5-tert-butylthiophen-2-yl)thiophene
CID 155166198

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-(4,5-dibromothiophen-2-yl)pyrimidin-4-amine?
The IUPAC name of 6-tert-butyl-2-(4,5-dibromothiophen-2-yl)pyrimidin-4-amine (CID 102843839) is 6-tert-butyl-2-(4,5-dibromothiophen-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-tert-butyl-2-(4,5-dibromothiophen-2-yl)pyrimidin-4-amine?
The canonical SMILES for 6-tert-butyl-2-(4,5-dibromothiophen-2-yl)pyrimidin-4-amine is CC(C)(C)c1cc(N)nc(-c2cc(Br)c(Br)s2)n1.
What is the InChIKey of 6-tert-butyl-2-(4,5-dibromothiophen-2-yl)pyrimidin-4-amine?
The InChIKey is IKUOZTLUFCJGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Br2N3S/c1-12(2,3)8-5-9(15)17-11(16-8)7-4-6(13)10(14)18-7/h4-5H,1-3H3,(H2,15,16,17).
What are the key properties of 6-tert-butyl-2-(4,5-dibromothiophen-2-yl)pyrimidin-4-amine?
6-tert-butyl-2-(4,5-dibromothiophen-2-yl)pyrimidin-4-amine has a molecular weight of 391.13 g/mol, XLogP of 4.61, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-(4,5-dibromothiophen-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 102843839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).