5-bromo-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-methylpyrimidin-4-amine

C9H10BrN5S2 — CID 114073926

IUPAC5-bromo-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-methylpyrimidin-4-amine
SMILESCCc1nsc(Sc2ncnc(NC)c2Br)n1
InChIInChI=1S/C9H10BrN5S2/c1-3-5-14-9(17-15-5)16-8-6(10)7(11-2)12-4-13-8/h4H,3H2,1-2H3,(H,11,12,13)
InChIKeyRVAGKRSFFMKRPK-UHFFFAOYSA-N
MW332.25 g/mol
LogP2.85
Rot. Bonds4

About 5-bromo-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-methylpyrimidin-4-amine

5-bromo-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-methylpyrimidin-4-amine (PubChem CID 114073926) has the molecular formula C9H10BrN5S2 and a molecular weight of 332.25 g/mol. Its IUPAC name is 5-bromo-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-methylpyrimidin-4-amine
PubChem CID114073926
Molecular FormulaC9H10BrN5S2
Molecular Weight332.25 g/mol
Exact Mass330.96
IUPAC Name5-bromo-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-methylpyrimidin-4-amine
SMILESCCc1nsc(Sc2ncnc(NC)c2Br)n1
InChIInChI=1S/C9H10BrN5S2/c1-3-5-14-9(17-15-5)16-8-6(10)7(11-2)12-4-13-8/h4H,3H2,1-2H3,(H,11,12,13)
InChIKeyRVAGKRSFFMKRPK-UHFFFAOYSA-N
XLogP2.85
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.25
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-methylpyrimidin-4-amine?
The IUPAC name of 5-bromo-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-methylpyrimidin-4-amine (CID 114073926) is 5-bromo-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-methylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-methylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-methylpyrimidin-4-amine is CCc1nsc(Sc2ncnc(NC)c2Br)n1.
What is the InChIKey of 5-bromo-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-methylpyrimidin-4-amine?
The InChIKey is RVAGKRSFFMKRPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN5S2/c1-3-5-14-9(17-15-5)16-8-6(10)7(11-2)12-4-13-8/h4H,3H2,1-2H3,(H,11,12,13).
What are the key properties of 5-bromo-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-methylpyrimidin-4-amine?
5-bromo-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-methylpyrimidin-4-amine has a molecular weight of 332.25 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-methylpyrimidin-4-amine is sourced from PubChem (CID 114073926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).