4-(5-bromothiophen-2-yl)-2-(4-methylpiperazin-2-yl)pyrimidine

C13H15BrN4S — CID 116901866

IUPAC4-(5-bromothiophen-2-yl)-2-(4-methylpiperazin-2-yl)pyrimidine
SMILESCN1CCNC(c2nccc(-c3ccc(Br)s3)n2)C1
InChIInChI=1S/C13H15BrN4S/c1-18-7-6-15-10(8-18)13-16-5-4-9(17-13)11-2-3-12(14)19-11/h2-5,10,15H,6-8H2,1H3
InChIKeyQCKYALZBAHCICR-UHFFFAOYSA-N
MW339.26 g/mol
LogP2.54
Rot. Bonds2

About 4-(5-bromothiophen-2-yl)-2-(4-methylpiperazin-2-yl)pyrimidine

4-(5-bromothiophen-2-yl)-2-(4-methylpiperazin-2-yl)pyrimidine (PubChem CID 116901866) has the molecular formula C13H15BrN4S and a molecular weight of 339.26 g/mol. Its IUPAC name is 4-(5-bromothiophen-2-yl)-2-(4-methylpiperazin-2-yl)pyrimidine.

Molecular Properties

Compound Name4-(5-bromothiophen-2-yl)-2-(4-methylpiperazin-2-yl)pyrimidine
PubChem CID116901866
Molecular FormulaC13H15BrN4S
Molecular Weight339.26 g/mol
Exact Mass338.02
IUPAC Name4-(5-bromothiophen-2-yl)-2-(4-methylpiperazin-2-yl)pyrimidine
SMILESCN1CCNC(c2nccc(-c3ccc(Br)s3)n2)C1
InChIInChI=1S/C13H15BrN4S/c1-18-7-6-15-10(8-18)13-16-5-4-9(17-13)11-2-3-12(14)19-11/h2-5,10,15H,6-8H2,1H3
InChIKeyQCKYALZBAHCICR-UHFFFAOYSA-N
XLogP2.54
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.26
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5-bromothiophen-2-yl)-2-(1-methylpiperazin-2-yl)pyrimidine
CID 116901839
2-(4-methylpiperazin-2-yl)-1,3-oxazole
CID 69278640
4-methyl-2-(4-methylpiperazin-2-yl)-6-pyridin-4-ylpyrimidine
CID 116895618
4-methyl-2-(4-methylpiperazin-2-yl)-6-phenylpyrimidine
CID 116895613
4-(5-bromothiophen-2-yl)-2-chloropyrimidine
CID 15141655
3-(5-bromofuran-2-yl)-1-methylpiperazine
CID 82664929
4-(3-bromophenyl)-2-(4-methylpiperazin-2-yl)-1,3-thiazole
CID 116966532
4-[[4-(5-bromothiophen-2-yl)pyrimidin-2-yl]amino]-N-methyl-N-(1-methylpyrrolidin-3-yl)benzamide
CID 59468439
3-(6-chloro-3-pyridinyl)-1-methylpiperazine
CID 131537539
3-[5-(4-bromothiophen-2-yl)-1H-imidazol-2-yl]-1-methylpiperazine
CID 116881125
1-methyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperazine
CID 53415979
4-(4-methylpiperazin-2-yl)-2-(1H-pyrrol-3-yl)-1,3-thiazole
CID 136988923

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromothiophen-2-yl)-2-(4-methylpiperazin-2-yl)pyrimidine?
The IUPAC name of 4-(5-bromothiophen-2-yl)-2-(4-methylpiperazin-2-yl)pyrimidine (CID 116901866) is 4-(5-bromothiophen-2-yl)-2-(4-methylpiperazin-2-yl)pyrimidine.
What is the SMILES notation for 4-(5-bromothiophen-2-yl)-2-(4-methylpiperazin-2-yl)pyrimidine?
The canonical SMILES for 4-(5-bromothiophen-2-yl)-2-(4-methylpiperazin-2-yl)pyrimidine is CN1CCNC(c2nccc(-c3ccc(Br)s3)n2)C1.
What is the InChIKey of 4-(5-bromothiophen-2-yl)-2-(4-methylpiperazin-2-yl)pyrimidine?
The InChIKey is QCKYALZBAHCICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4S/c1-18-7-6-15-10(8-18)13-16-5-4-9(17-13)11-2-3-12(14)19-11/h2-5,10,15H,6-8H2,1H3.
What are the key properties of 4-(5-bromothiophen-2-yl)-2-(4-methylpiperazin-2-yl)pyrimidine?
4-(5-bromothiophen-2-yl)-2-(4-methylpiperazin-2-yl)pyrimidine has a molecular weight of 339.26 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromothiophen-2-yl)-2-(4-methylpiperazin-2-yl)pyrimidine is sourced from PubChem (CID 116901866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).