5-bromo-2-(5-chlorothiophen-2-yl)-N-ethylpyrimidin-4-amine

C10H9BrClN3S — CID 66295486

IUPAC5-bromo-2-(5-chlorothiophen-2-yl)-N-ethylpyrimidin-4-amine
SMILESCCNc1nc(-c2ccc(Cl)s2)ncc1Br
InChIInChI=1S/C10H9BrClN3S/c1-2-13-9-6(11)5-14-10(15-9)7-3-4-8(12)16-7/h3-5H,2H2,1H3,(H,13,14,15)
InChIKeyXNAKQFGPPOUHPZ-UHFFFAOYSA-N
MW318.63 g/mol
LogP4.05
Rot. Bonds3

About 5-bromo-2-(5-chlorothiophen-2-yl)-N-ethylpyrimidin-4-amine

5-bromo-2-(5-chlorothiophen-2-yl)-N-ethylpyrimidin-4-amine (PubChem CID 66295486) has the molecular formula C10H9BrClN3S and a molecular weight of 318.63 g/mol. Its IUPAC name is 5-bromo-2-(5-chlorothiophen-2-yl)-N-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(5-chlorothiophen-2-yl)-N-ethylpyrimidin-4-amine
PubChem CID66295486
Molecular FormulaC10H9BrClN3S
Molecular Weight318.63 g/mol
Exact Mass316.94
IUPAC Name5-bromo-2-(5-chlorothiophen-2-yl)-N-ethylpyrimidin-4-amine
SMILESCCNc1nc(-c2ccc(Cl)s2)ncc1Br
InChIInChI=1S/C10H9BrClN3S/c1-2-13-9-6(11)5-14-10(15-9)7-3-4-8(12)16-7/h3-5H,2H2,1H3,(H,13,14,15)
InChIKeyXNAKQFGPPOUHPZ-UHFFFAOYSA-N
XLogP4.05
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.63
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(5-chlorothiophen-2-yl)-N-ethylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(5-chlorothiophen-2-yl)-N-ethylpyrimidin-4-amine (CID 66295486) is 5-bromo-2-(5-chlorothiophen-2-yl)-N-ethylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(5-chlorothiophen-2-yl)-N-ethylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(5-chlorothiophen-2-yl)-N-ethylpyrimidin-4-amine is CCNc1nc(-c2ccc(Cl)s2)ncc1Br.
What is the InChIKey of 5-bromo-2-(5-chlorothiophen-2-yl)-N-ethylpyrimidin-4-amine?
The InChIKey is XNAKQFGPPOUHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrClN3S/c1-2-13-9-6(11)5-14-10(15-9)7-3-4-8(12)16-7/h3-5H,2H2,1H3,(H,13,14,15).
What are the key properties of 5-bromo-2-(5-chlorothiophen-2-yl)-N-ethylpyrimidin-4-amine?
5-bromo-2-(5-chlorothiophen-2-yl)-N-ethylpyrimidin-4-amine has a molecular weight of 318.63 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(5-chlorothiophen-2-yl)-N-ethylpyrimidin-4-amine is sourced from PubChem (CID 66295486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).