6-(3-bromothiophen-2-yl)-2-tert-butyl-5-methylpyrimidin-4-amine

C13H16BrN3S — CID 80977064

IUPAC6-(3-bromothiophen-2-yl)-2-tert-butyl-5-methylpyrimidin-4-amine
SMILESCc1c(N)nc(C(C)(C)C)nc1-c1sccc1Br
InChIInChI=1S/C13H16BrN3S/c1-7-9(10-8(14)5-6-18-10)16-12(13(2,3)4)17-11(7)15/h5-6H,1-4H3,(H2,15,16,17)
InChIKeyPRAXKCQXBHISQD-UHFFFAOYSA-N
MW326.26 g/mol
LogP4.16
Rot. Bonds1

About 6-(3-bromothiophen-2-yl)-2-tert-butyl-5-methylpyrimidin-4-amine

6-(3-bromothiophen-2-yl)-2-tert-butyl-5-methylpyrimidin-4-amine (PubChem CID 80977064) has the molecular formula C13H16BrN3S and a molecular weight of 326.26 g/mol. Its IUPAC name is 6-(3-bromothiophen-2-yl)-2-tert-butyl-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-bromothiophen-2-yl)-2-tert-butyl-5-methylpyrimidin-4-amine
PubChem CID80977064
Molecular FormulaC13H16BrN3S
Molecular Weight326.26 g/mol
Exact Mass325.02
IUPAC Name6-(3-bromothiophen-2-yl)-2-tert-butyl-5-methylpyrimidin-4-amine
SMILESCc1c(N)nc(C(C)(C)C)nc1-c1sccc1Br
InChIInChI=1S/C13H16BrN3S/c1-7-9(10-8(14)5-6-18-10)16-12(13(2,3)4)17-11(7)15/h5-6H,1-4H3,(H2,15,16,17)
InChIKeyPRAXKCQXBHISQD-UHFFFAOYSA-N
XLogP4.16
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.26
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[(3-bromothiophen-2-yl)methyl]-2-tert-butyl-5-methylpyrimidine-4,6-diamine
CID 80992322
2,5-dimethyl-6-(3-methylthiophen-2-yl)pyrimidin-4-amine
CID 79991553
2-tert-butyl-5-methyl-6-phenylpyrimidin-4-amine
CID 80975412
2-tert-butyl-6-(3,4-dimethylphenyl)-5-methylpyrimidin-4-amine
CID 80975520
2-(3-bromothiophen-2-yl)-6-ethyl-5-methylpyrimidin-4-amine
CID 115381177
2-tert-butyl-6-(2,5-dimethylphenyl)-5-methylpyrimidin-4-amine
CID 80975360
2-tert-butyl-6-(2,6-difluoro-3-methylphenyl)-5-methylpyrimidin-4-amine
CID 82804234
2-tert-butylthieno[3,2-d]pyrimidin-4-amine
CID 159894011
2-tert-butyl-6-(2,3-difluorophenyl)-5-methylpyrimidin-4-amine
CID 80977138
4-N-[(3-bromothiophen-2-yl)methyl]-2-tert-butyl-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80992230
2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)thiophen-3-amine
CID 29034351
6-(2-bromo-4-fluorophenoxy)-2-tert-butyl-5-methylpyrimidin-4-amine
CID 80988471

Frequently Asked Questions

What is the IUPAC name of 6-(3-bromothiophen-2-yl)-2-tert-butyl-5-methylpyrimidin-4-amine?
The IUPAC name of 6-(3-bromothiophen-2-yl)-2-tert-butyl-5-methylpyrimidin-4-amine (CID 80977064) is 6-(3-bromothiophen-2-yl)-2-tert-butyl-5-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(3-bromothiophen-2-yl)-2-tert-butyl-5-methylpyrimidin-4-amine?
The canonical SMILES for 6-(3-bromothiophen-2-yl)-2-tert-butyl-5-methylpyrimidin-4-amine is Cc1c(N)nc(C(C)(C)C)nc1-c1sccc1Br.
What is the InChIKey of 6-(3-bromothiophen-2-yl)-2-tert-butyl-5-methylpyrimidin-4-amine?
The InChIKey is PRAXKCQXBHISQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3S/c1-7-9(10-8(14)5-6-18-10)16-12(13(2,3)4)17-11(7)15/h5-6H,1-4H3,(H2,15,16,17).
What are the key properties of 6-(3-bromothiophen-2-yl)-2-tert-butyl-5-methylpyrimidin-4-amine?
6-(3-bromothiophen-2-yl)-2-tert-butyl-5-methylpyrimidin-4-amine has a molecular weight of 326.26 g/mol, XLogP of 4.16, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromothiophen-2-yl)-2-tert-butyl-5-methylpyrimidin-4-amine is sourced from PubChem (CID 80977064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).