(4-bromothiophen-2-yl)-(4-chloro-1-methyl-2H-pyrimidin-5-yl)methanone

C10H8BrClN2OS — CID 139354358

IUPAC(4-bromothiophen-2-yl)-(4-chloro-1-methyl-2H-pyrimidin-5-yl)methanone
SMILESCN1C=C(C(=O)c2cc(Br)cs2)C(Cl)=NC1
InChIInChI=1S/C10H8BrClN2OS/c1-14-3-7(10(12)13-5-14)9(15)8-2-6(11)4-16-8/h2-4H,5H2,1H3
InChIKeyPALNMJDLANFSQH-UHFFFAOYSA-N
MW319.61 g/mol
LogP3.12
Rot. Bonds2

About (4-bromothiophen-2-yl)-(4-chloro-1-methyl-2H-pyrimidin-5-yl)methanone

(4-bromothiophen-2-yl)-(4-chloro-1-methyl-2H-pyrimidin-5-yl)methanone (PubChem CID 139354358) has the molecular formula C10H8BrClN2OS and a molecular weight of 319.61 g/mol. Its IUPAC name is (4-bromothiophen-2-yl)-(4-chloro-1-methyl-2H-pyrimidin-5-yl)methanone.

Molecular Properties

Compound Name(4-bromothiophen-2-yl)-(4-chloro-1-methyl-2H-pyrimidin-5-yl)methanone
PubChem CID139354358
Molecular FormulaC10H8BrClN2OS
Molecular Weight319.61 g/mol
Exact Mass317.92
IUPAC Name(4-bromothiophen-2-yl)-(4-chloro-1-methyl-2H-pyrimidin-5-yl)methanone
SMILESCN1C=C(C(=O)c2cc(Br)cs2)C(Cl)=NC1
InChIInChI=1S/C10H8BrClN2OS/c1-14-3-7(10(12)13-5-14)9(15)8-2-6(11)4-16-8/h2-4H,5H2,1H3
InChIKeyPALNMJDLANFSQH-UHFFFAOYSA-N
XLogP3.12
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.61
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 90293584
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(E)-1-(4-bromothiophen-2-yl)-3-(4-chloro-1-ethylpyrazol-5-yl)prop-2-en-1-one
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(4-bromothiophen-2-yl)-pyrazol-1-ylmethanone
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(4-bromothiophen-2-yl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
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Frequently Asked Questions

What is the IUPAC name of (4-bromothiophen-2-yl)-(4-chloro-1-methyl-2H-pyrimidin-5-yl)methanone?
The IUPAC name of (4-bromothiophen-2-yl)-(4-chloro-1-methyl-2H-pyrimidin-5-yl)methanone (CID 139354358) is (4-bromothiophen-2-yl)-(4-chloro-1-methyl-2H-pyrimidin-5-yl)methanone.
What is the SMILES notation for (4-bromothiophen-2-yl)-(4-chloro-1-methyl-2H-pyrimidin-5-yl)methanone?
The canonical SMILES for (4-bromothiophen-2-yl)-(4-chloro-1-methyl-2H-pyrimidin-5-yl)methanone is CN1C=C(C(=O)c2cc(Br)cs2)C(Cl)=NC1.
What is the InChIKey of (4-bromothiophen-2-yl)-(4-chloro-1-methyl-2H-pyrimidin-5-yl)methanone?
The InChIKey is PALNMJDLANFSQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClN2OS/c1-14-3-7(10(12)13-5-14)9(15)8-2-6(11)4-16-8/h2-4H,5H2,1H3.
What are the key properties of (4-bromothiophen-2-yl)-(4-chloro-1-methyl-2H-pyrimidin-5-yl)methanone?
(4-bromothiophen-2-yl)-(4-chloro-1-methyl-2H-pyrimidin-5-yl)methanone has a molecular weight of 319.61 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromothiophen-2-yl)-(4-chloro-1-methyl-2H-pyrimidin-5-yl)methanone is sourced from PubChem (CID 139354358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).