5-(4-bromothiophen-2-yl)-N-piperidin-4-ylpyrimidin-2-amine

C13H15BrN4S — CID 116974771

IUPAC5-(4-bromothiophen-2-yl)-N-piperidin-4-ylpyrimidin-2-amine
SMILESBrc1csc(-c2cnc(NC3CCNCC3)nc2)c1
InChIInChI=1S/C13H15BrN4S/c14-10-5-12(19-8-10)9-6-16-13(17-7-9)18-11-1-3-15-4-2-11/h5-8,11,15H,1-4H2,(H,16,17,18)
InChIKeyCPEZAQSRXYJXKC-UHFFFAOYSA-N
MW339.26 g/mol
LogP3.13
Rot. Bonds3

About 5-(4-bromothiophen-2-yl)-N-piperidin-4-ylpyrimidin-2-amine

5-(4-bromothiophen-2-yl)-N-piperidin-4-ylpyrimidin-2-amine (PubChem CID 116974771) has the molecular formula C13H15BrN4S and a molecular weight of 339.26 g/mol. Its IUPAC name is 5-(4-bromothiophen-2-yl)-N-piperidin-4-ylpyrimidin-2-amine.

Molecular Properties

Compound Name5-(4-bromothiophen-2-yl)-N-piperidin-4-ylpyrimidin-2-amine
PubChem CID116974771
Molecular FormulaC13H15BrN4S
Molecular Weight339.26 g/mol
Exact Mass338.02
IUPAC Name5-(4-bromothiophen-2-yl)-N-piperidin-4-ylpyrimidin-2-amine
SMILESBrc1csc(-c2cnc(NC3CCNCC3)nc2)c1
InChIInChI=1S/C13H15BrN4S/c14-10-5-12(19-8-10)9-6-16-13(17-7-9)18-11-1-3-15-4-2-11/h5-8,11,15H,1-4H2,(H,16,17,18)
InChIKeyCPEZAQSRXYJXKC-UHFFFAOYSA-N
XLogP3.13
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.26
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-bromothiophen-2-yl)-2-piperazin-1-ylpyrimidine
CID 116976347
5-bromo-N-pyrrolidin-3-ylpyrimidin-2-amine
CID 63872650
5-(4-bromothiophen-2-yl)-N-pyrrolidin-3-yl-1H-pyrazol-3-amine
CID 107355298
4-[5-(4-bromothiophen-2-yl)-1H-imidazol-2-yl]piperidine
CID 82308947
4-(4-bromothiophen-2-yl)-2-piperidin-4-yl-1,3-thiazole
CID 107354701
4-[4-(4-bromothiophen-2-yl)-1-methylpyrazol-5-yl]piperidine
CID 84607127
5-(3-fluorophenyl)-N-pyrrolidin-3-ylpyrimidin-2-amine
CID 116974721
5-(difluoromethoxy)-N-piperidin-4-ylpyrimidin-2-amine;ethane
CID 177057062
5-bromo-N-(2-methylpiperidin-4-yl)pyrimidin-2-amine
CID 106996112
N-(5-bromo-3-chloro-2-pyridinyl)azepan-4-amine
CID 107173501
4-(4-bromothiophen-2-yl)-2-pyrrolidin-3-yl-1,3-thiazole
CID 116965371
5-bromo-N-(2-piperidin-4-yloxyethyl)pyrimidin-2-amine
CID 63869496

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromothiophen-2-yl)-N-piperidin-4-ylpyrimidin-2-amine?
The IUPAC name of 5-(4-bromothiophen-2-yl)-N-piperidin-4-ylpyrimidin-2-amine (CID 116974771) is 5-(4-bromothiophen-2-yl)-N-piperidin-4-ylpyrimidin-2-amine.
What is the SMILES notation for 5-(4-bromothiophen-2-yl)-N-piperidin-4-ylpyrimidin-2-amine?
The canonical SMILES for 5-(4-bromothiophen-2-yl)-N-piperidin-4-ylpyrimidin-2-amine is Brc1csc(-c2cnc(NC3CCNCC3)nc2)c1.
What is the InChIKey of 5-(4-bromothiophen-2-yl)-N-piperidin-4-ylpyrimidin-2-amine?
The InChIKey is CPEZAQSRXYJXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4S/c14-10-5-12(19-8-10)9-6-16-13(17-7-9)18-11-1-3-15-4-2-11/h5-8,11,15H,1-4H2,(H,16,17,18).
What are the key properties of 5-(4-bromothiophen-2-yl)-N-piperidin-4-ylpyrimidin-2-amine?
5-(4-bromothiophen-2-yl)-N-piperidin-4-ylpyrimidin-2-amine has a molecular weight of 339.26 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromothiophen-2-yl)-N-piperidin-4-ylpyrimidin-2-amine is sourced from PubChem (CID 116974771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).