6-(4-bromothiophen-3-yl)pyrimidin-4-amine

C8H6BrN3S — CID 79602518

IUPAC6-(4-bromothiophen-3-yl)pyrimidin-4-amine
SMILESNc1cc(-c2cscc2Br)ncn1
InChIInChI=1S/C8H6BrN3S/c9-6-3-13-2-5(6)7-1-8(10)12-4-11-7/h1-4H,(H2,10,11,12)
InChIKeyWRNBDXBSECYAFC-UHFFFAOYSA-N
MW256.13 g/mol
LogP2.55
Rot. Bonds1

About 6-(4-bromothiophen-3-yl)pyrimidin-4-amine

6-(4-bromothiophen-3-yl)pyrimidin-4-amine (PubChem CID 79602518) has the molecular formula C8H6BrN3S and a molecular weight of 256.13 g/mol. Its IUPAC name is 6-(4-bromothiophen-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-bromothiophen-3-yl)pyrimidin-4-amine
PubChem CID79602518
Molecular FormulaC8H6BrN3S
Molecular Weight256.13 g/mol
Exact Mass254.95
IUPAC Name6-(4-bromothiophen-3-yl)pyrimidin-4-amine
SMILESNc1cc(-c2cscc2Br)ncn1
InChIInChI=1S/C8H6BrN3S/c9-6-3-13-2-5(6)7-1-8(10)12-4-11-7/h1-4H,(H2,10,11,12)
InChIKeyWRNBDXBSECYAFC-UHFFFAOYSA-N
XLogP2.55
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.13
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-bromothiophen-3-yl)pyrimidin-4-amine?
The IUPAC name of 6-(4-bromothiophen-3-yl)pyrimidin-4-amine (CID 79602518) is 6-(4-bromothiophen-3-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-(4-bromothiophen-3-yl)pyrimidin-4-amine?
The canonical SMILES for 6-(4-bromothiophen-3-yl)pyrimidin-4-amine is Nc1cc(-c2cscc2Br)ncn1.
What is the InChIKey of 6-(4-bromothiophen-3-yl)pyrimidin-4-amine?
The InChIKey is WRNBDXBSECYAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrN3S/c9-6-3-13-2-5(6)7-1-8(10)12-4-11-7/h1-4H,(H2,10,11,12).
What are the key properties of 6-(4-bromothiophen-3-yl)pyrimidin-4-amine?
6-(4-bromothiophen-3-yl)pyrimidin-4-amine has a molecular weight of 256.13 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromothiophen-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 79602518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).