6-[(3-bromo-2-pyridinyl)sulfanyl]-5-ethyl-N-methylpyrimidin-4-amine

C12H13BrN4S — CID 80890612

IUPAC6-[(3-bromo-2-pyridinyl)sulfanyl]-5-ethyl-N-methylpyrimidin-4-amine
SMILESCCc1c(NC)ncnc1Sc1ncccc1Br
InChIInChI=1S/C12H13BrN4S/c1-3-8-10(14-2)16-7-17-11(8)18-12-9(13)5-4-6-15-12/h4-7H,3H2,1-2H3,(H,14,16,17)
InChIKeyXEAPCRNZNOUHHX-UHFFFAOYSA-N
MW325.24 g/mol
LogP3.39
Rot. Bonds4

About 6-[(3-bromo-2-pyridinyl)sulfanyl]-5-ethyl-N-methylpyrimidin-4-amine

6-[(3-bromo-2-pyridinyl)sulfanyl]-5-ethyl-N-methylpyrimidin-4-amine (PubChem CID 80890612) has the molecular formula C12H13BrN4S and a molecular weight of 325.24 g/mol. Its IUPAC name is 6-[(3-bromo-2-pyridinyl)sulfanyl]-5-ethyl-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[(3-bromo-2-pyridinyl)sulfanyl]-5-ethyl-N-methylpyrimidin-4-amine
PubChem CID80890612
Molecular FormulaC12H13BrN4S
Molecular Weight325.24 g/mol
Exact Mass324.00
IUPAC Name6-[(3-bromo-2-pyridinyl)sulfanyl]-5-ethyl-N-methylpyrimidin-4-amine
SMILESCCc1c(NC)ncnc1Sc1ncccc1Br
InChIInChI=1S/C12H13BrN4S/c1-3-8-10(14-2)16-7-17-11(8)18-12-9(13)5-4-6-15-12/h4-7H,3H2,1-2H3,(H,14,16,17)
InChIKeyXEAPCRNZNOUHHX-UHFFFAOYSA-N
XLogP3.39
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.24
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(3-bromo-2-pyridinyl)sulfanyl]-N-ethyl-5-propylpyrimidin-4-amine
CID 80890169
5-ethyl-N-methyl-6-phenylsulfanylpyrimidin-4-amine
CID 80887845
6-(3-chlorophenyl)sulfanyl-5-ethyl-N-methylpyrimidin-4-amine
CID 80891542
[6-[(3-bromo-2-pyridinyl)sulfanyl]-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80929584
6-(2,5-difluorophenyl)sulfanyl-5-ethyl-N-methylpyrimidin-4-amine
CID 80885129
5-ethyl-N-methyl-6-(1-methylimidazol-2-yl)sulfanylpyrimidin-4-amine
CID 80888515
2-[5-ethyl-6-(methylamino)pyrimidin-4-yl]sulfanylethanol
CID 80884568
6-[2-(dimethylamino)ethylsulfanyl]-5-ethyl-N-methylpyrimidin-4-amine
CID 80894668
3-[5-ethyl-6-(methylamino)pyrimidin-4-yl]sulfanylpropan-1-ol
CID 80890303
6-(3-bromo-2-fluorophenyl)-5-ethyl-N-methylpyrimidin-4-amine
CID 106646843
6-[(2-chlorophenyl)methylsulfanyl]-5-ethyl-N-methylpyrimidin-4-amine
CID 103291539
3-[(3-bromo-2-pyridinyl)sulfanyl]-5,6-diethylpyridazine-4-carboxylic acid
CID 80515836

Frequently Asked Questions

What is the IUPAC name of 6-[(3-bromo-2-pyridinyl)sulfanyl]-5-ethyl-N-methylpyrimidin-4-amine?
The IUPAC name of 6-[(3-bromo-2-pyridinyl)sulfanyl]-5-ethyl-N-methylpyrimidin-4-amine (CID 80890612) is 6-[(3-bromo-2-pyridinyl)sulfanyl]-5-ethyl-N-methylpyrimidin-4-amine.
What is the SMILES notation for 6-[(3-bromo-2-pyridinyl)sulfanyl]-5-ethyl-N-methylpyrimidin-4-amine?
The canonical SMILES for 6-[(3-bromo-2-pyridinyl)sulfanyl]-5-ethyl-N-methylpyrimidin-4-amine is CCc1c(NC)ncnc1Sc1ncccc1Br.
What is the InChIKey of 6-[(3-bromo-2-pyridinyl)sulfanyl]-5-ethyl-N-methylpyrimidin-4-amine?
The InChIKey is XEAPCRNZNOUHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4S/c1-3-8-10(14-2)16-7-17-11(8)18-12-9(13)5-4-6-15-12/h4-7H,3H2,1-2H3,(H,14,16,17).
What are the key properties of 6-[(3-bromo-2-pyridinyl)sulfanyl]-5-ethyl-N-methylpyrimidin-4-amine?
6-[(3-bromo-2-pyridinyl)sulfanyl]-5-ethyl-N-methylpyrimidin-4-amine has a molecular weight of 325.24 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-bromo-2-pyridinyl)sulfanyl]-5-ethyl-N-methylpyrimidin-4-amine is sourced from PubChem (CID 80890612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).