4-(5-bromothiophen-2-yl)-N-(4-fluorophenyl)pyrimidin-2-amine

C14H9BrFN3S — CID 59468410

IUPAC4-(5-bromothiophen-2-yl)-N-(4-fluorophenyl)pyrimidin-2-amine
SMILESFc1ccc(Nc2nccc(-c3ccc(Br)s3)n2)cc1
InChIInChI=1S/C14H9BrFN3S/c15-13-6-5-12(20-13)11-7-8-17-14(19-11)18-10-3-1-9(16)2-4-10/h1-8H,(H,17,18,19)
InChIKeyKERUUAYHVONHRL-UHFFFAOYSA-N
MW350.22 g/mol
LogP4.85
Rot. Bonds3

About 4-(5-bromothiophen-2-yl)-N-(4-fluorophenyl)pyrimidin-2-amine

4-(5-bromothiophen-2-yl)-N-(4-fluorophenyl)pyrimidin-2-amine (PubChem CID 59468410) has the molecular formula C14H9BrFN3S and a molecular weight of 350.22 g/mol. Its IUPAC name is 4-(5-bromothiophen-2-yl)-N-(4-fluorophenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(5-bromothiophen-2-yl)-N-(4-fluorophenyl)pyrimidin-2-amine
PubChem CID59468410
Molecular FormulaC14H9BrFN3S
Molecular Weight350.22 g/mol
Exact Mass348.97
IUPAC Name4-(5-bromothiophen-2-yl)-N-(4-fluorophenyl)pyrimidin-2-amine
SMILESFc1ccc(Nc2nccc(-c3ccc(Br)s3)n2)cc1
InChIInChI=1S/C14H9BrFN3S/c15-13-6-5-12(20-13)11-7-8-17-14(19-11)18-10-3-1-9(16)2-4-10/h1-8H,(H,17,18,19)
InChIKeyKERUUAYHVONHRL-UHFFFAOYSA-N
XLogP4.85
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.22
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-bromothiophen-2-yl)-N-(4-fluorophenyl)pyrimidin-2-amine?
The IUPAC name of 4-(5-bromothiophen-2-yl)-N-(4-fluorophenyl)pyrimidin-2-amine (CID 59468410) is 4-(5-bromothiophen-2-yl)-N-(4-fluorophenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(5-bromothiophen-2-yl)-N-(4-fluorophenyl)pyrimidin-2-amine?
The canonical SMILES for 4-(5-bromothiophen-2-yl)-N-(4-fluorophenyl)pyrimidin-2-amine is Fc1ccc(Nc2nccc(-c3ccc(Br)s3)n2)cc1.
What is the InChIKey of 4-(5-bromothiophen-2-yl)-N-(4-fluorophenyl)pyrimidin-2-amine?
The InChIKey is KERUUAYHVONHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrFN3S/c15-13-6-5-12(20-13)11-7-8-17-14(19-11)18-10-3-1-9(16)2-4-10/h1-8H,(H,17,18,19).
What are the key properties of 4-(5-bromothiophen-2-yl)-N-(4-fluorophenyl)pyrimidin-2-amine?
4-(5-bromothiophen-2-yl)-N-(4-fluorophenyl)pyrimidin-2-amine has a molecular weight of 350.22 g/mol, XLogP of 4.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromothiophen-2-yl)-N-(4-fluorophenyl)pyrimidin-2-amine is sourced from PubChem (CID 59468410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).