2-(4-bromo-5-chlorothiophen-2-yl)pyrimidin-4-amine

C8H5BrClN3S — CID 102843847

IUPAC2-(4-bromo-5-chlorothiophen-2-yl)pyrimidin-4-amine
SMILESNc1ccnc(-c2cc(Br)c(Cl)s2)n1
InChIInChI=1S/C8H5BrClN3S/c9-4-3-5(14-7(4)10)8-12-2-1-6(11)13-8/h1-3H,(H2,11,12,13)
InChIKeyCVHGKLDTRBTOID-UHFFFAOYSA-N
MW290.57 g/mol
LogP3.20
Rot. Bonds1

About 2-(4-bromo-5-chlorothiophen-2-yl)pyrimidin-4-amine

2-(4-bromo-5-chlorothiophen-2-yl)pyrimidin-4-amine (PubChem CID 102843847) has the molecular formula C8H5BrClN3S and a molecular weight of 290.57 g/mol. Its IUPAC name is 2-(4-bromo-5-chlorothiophen-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-bromo-5-chlorothiophen-2-yl)pyrimidin-4-amine
PubChem CID102843847
Molecular FormulaC8H5BrClN3S
Molecular Weight290.57 g/mol
Exact Mass288.91
IUPAC Name2-(4-bromo-5-chlorothiophen-2-yl)pyrimidin-4-amine
SMILESNc1ccnc(-c2cc(Br)c(Cl)s2)n1
InChIInChI=1S/C8H5BrClN3S/c9-4-3-5(14-7(4)10)8-12-2-1-6(11)13-8/h1-3H,(H2,11,12,13)
InChIKeyCVHGKLDTRBTOID-UHFFFAOYSA-N
XLogP3.20
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.57
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-5-chlorothiophen-2-yl)pyrimidin-4-amine?
The IUPAC name of 2-(4-bromo-5-chlorothiophen-2-yl)pyrimidin-4-amine (CID 102843847) is 2-(4-bromo-5-chlorothiophen-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-(4-bromo-5-chlorothiophen-2-yl)pyrimidin-4-amine?
The canonical SMILES for 2-(4-bromo-5-chlorothiophen-2-yl)pyrimidin-4-amine is Nc1ccnc(-c2cc(Br)c(Cl)s2)n1.
What is the InChIKey of 2-(4-bromo-5-chlorothiophen-2-yl)pyrimidin-4-amine?
The InChIKey is CVHGKLDTRBTOID-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrClN3S/c9-4-3-5(14-7(4)10)8-12-2-1-6(11)13-8/h1-3H,(H2,11,12,13).
What are the key properties of 2-(4-bromo-5-chlorothiophen-2-yl)pyrimidin-4-amine?
2-(4-bromo-5-chlorothiophen-2-yl)pyrimidin-4-amine has a molecular weight of 290.57 g/mol, XLogP of 3.20, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-5-chlorothiophen-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 102843847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).