4-(4-bromopiperidin-1-yl)-6-methylsulfanylpyrimidine

C10H14BrN3S — CID 106973777

IUPAC4-(4-bromopiperidin-1-yl)-6-methylsulfanylpyrimidine
SMILESCSc1cc(N2CCC(Br)CC2)ncn1
InChIInChI=1S/C10H14BrN3S/c1-15-10-6-9(12-7-13-10)14-4-2-8(11)3-5-14/h6-8H,2-5H2,1H3
InChIKeyXTAVZCRPNSQMQS-UHFFFAOYSA-N
MW288.21 g/mol
LogP2.56
Rot. Bonds2

About 4-(4-bromopiperidin-1-yl)-6-methylsulfanylpyrimidine

4-(4-bromopiperidin-1-yl)-6-methylsulfanylpyrimidine (PubChem CID 106973777) has the molecular formula C10H14BrN3S and a molecular weight of 288.21 g/mol. Its IUPAC name is 4-(4-bromopiperidin-1-yl)-6-methylsulfanylpyrimidine.

Molecular Properties

Compound Name4-(4-bromopiperidin-1-yl)-6-methylsulfanylpyrimidine
PubChem CID106973777
Molecular FormulaC10H14BrN3S
Molecular Weight288.21 g/mol
Exact Mass287.01
IUPAC Name4-(4-bromopiperidin-1-yl)-6-methylsulfanylpyrimidine
SMILESCSc1cc(N2CCC(Br)CC2)ncn1
InChIInChI=1S/C10H14BrN3S/c1-15-10-6-9(12-7-13-10)14-4-2-8(11)3-5-14/h6-8H,2-5H2,1H3
InChIKeyXTAVZCRPNSQMQS-UHFFFAOYSA-N
XLogP2.56
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.21
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-methyl-1-(6-methylsulfanylpyrimidin-4-yl)pyrrolidin-3-amine
CID 106973300
4-(4-chloro-3-methylpiperidin-1-yl)-6-methylsulfanylpyrimidine
CID 106973827
N-[[1-(6-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]methyl]ethanamine
CID 106973293
(3R)-1-(6-methylsulfanylpyrimidin-4-yl)piperidin-3-amine
CID 106973343
4-methyl-1-(6-methylsulfanylpyrimidin-4-yl)pyrrolidin-3-amine
CID 106973347
[4-(6-methylsulfanylpyrimidin-4-yl)morpholin-2-yl]methanol
CID 106973462
3-[4-(6-methylsulfanylpyrimidin-4-yl)-1,4-diazepan-1-yl]propan-1-amine
CID 106972383
2-methyl-N-[[1-(6-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]methyl]propan-1-amine
CID 106973651
2-[4-(6-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]pentanenitrile
CID 106972429
4-(4-methylpiperidin-1-yl)-6-piperidin-1-ylpyrimidine
CID 112856002
1-(6-methylsulfanylpyrimidin-4-yl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 106972163
4-fluoro-6-(4-methoxypiperidin-1-yl)pyrimidine
CID 115416496

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromopiperidin-1-yl)-6-methylsulfanylpyrimidine?
The IUPAC name of 4-(4-bromopiperidin-1-yl)-6-methylsulfanylpyrimidine (CID 106973777) is 4-(4-bromopiperidin-1-yl)-6-methylsulfanylpyrimidine.
What is the SMILES notation for 4-(4-bromopiperidin-1-yl)-6-methylsulfanylpyrimidine?
The canonical SMILES for 4-(4-bromopiperidin-1-yl)-6-methylsulfanylpyrimidine is CSc1cc(N2CCC(Br)CC2)ncn1.
What is the InChIKey of 4-(4-bromopiperidin-1-yl)-6-methylsulfanylpyrimidine?
The InChIKey is XTAVZCRPNSQMQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3S/c1-15-10-6-9(12-7-13-10)14-4-2-8(11)3-5-14/h6-8H,2-5H2,1H3.
What are the key properties of 4-(4-bromopiperidin-1-yl)-6-methylsulfanylpyrimidine?
4-(4-bromopiperidin-1-yl)-6-methylsulfanylpyrimidine has a molecular weight of 288.21 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromopiperidin-1-yl)-6-methylsulfanylpyrimidine is sourced from PubChem (CID 106973777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).