4-(4-chloro-3-methylpiperidin-1-yl)-6-methylsulfanylpyrimidine

C11H16ClN3S — CID 106973827

IUPAC4-(4-chloro-3-methylpiperidin-1-yl)-6-methylsulfanylpyrimidine
SMILESCSc1cc(N2CCC(Cl)C(C)C2)ncn1
InChIInChI=1S/C11H16ClN3S/c1-8-6-15(4-3-9(8)12)10-5-11(16-2)14-7-13-10/h5,7-9H,3-4,6H2,1-2H3
InChIKeySBYIAXMVBMQLOH-UHFFFAOYSA-N
MW257.79 g/mol
LogP2.65
Rot. Bonds2

About 4-(4-chloro-3-methylpiperidin-1-yl)-6-methylsulfanylpyrimidine

4-(4-chloro-3-methylpiperidin-1-yl)-6-methylsulfanylpyrimidine (PubChem CID 106973827) has the molecular formula C11H16ClN3S and a molecular weight of 257.79 g/mol. Its IUPAC name is 4-(4-chloro-3-methylpiperidin-1-yl)-6-methylsulfanylpyrimidine.

Molecular Properties

Compound Name4-(4-chloro-3-methylpiperidin-1-yl)-6-methylsulfanylpyrimidine
PubChem CID106973827
Molecular FormulaC11H16ClN3S
Molecular Weight257.79 g/mol
Exact Mass257.08
IUPAC Name4-(4-chloro-3-methylpiperidin-1-yl)-6-methylsulfanylpyrimidine
SMILESCSc1cc(N2CCC(Cl)C(C)C2)ncn1
InChIInChI=1S/C11H16ClN3S/c1-8-6-15(4-3-9(8)12)10-5-11(16-2)14-7-13-10/h5,7-9H,3-4,6H2,1-2H3
InChIKeySBYIAXMVBMQLOH-UHFFFAOYSA-N
XLogP2.65
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.79
LogP ≤ 52.65
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

4-(4-chloro-3-methylpiperidin-1-yl)-6-methoxypyrimidine
CID 114682611
N-methyl-1-(6-methylsulfanylpyrimidin-4-yl)pyrrolidin-3-amine
CID 106973300
(3R)-1-(6-methylsulfanylpyrimidin-4-yl)piperidin-3-amine
CID 106973343
4-methyl-1-(6-methylsulfanylpyrimidin-4-yl)pyrrolidin-3-amine
CID 106973347
4-(4-bromopiperidin-1-yl)-6-methylsulfanylpyrimidine
CID 106973777
4-(3-chloro-4-methylpiperidin-1-yl)-6-propan-2-ylpyrimidine
CID 102960858
2-methyl-N-[[1-(6-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]methyl]propan-1-amine
CID 106973651
N-[[1-(6-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]methyl]ethanamine
CID 106973293
2-(4-chloro-3-methylpiperidin-1-yl)-5-fluoropyridine
CID 114682637
[4-(6-methylsulfanylpyrimidin-4-yl)morpholin-2-yl]methanol
CID 106973462
6-(3-methylpyrrolidin-1-yl)pyrimidin-4-amine
CID 78929973
4-(4-methylpiperidin-1-yl)-6-piperidin-1-ylpyrimidine
CID 112856002

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-3-methylpiperidin-1-yl)-6-methylsulfanylpyrimidine?
The IUPAC name of 4-(4-chloro-3-methylpiperidin-1-yl)-6-methylsulfanylpyrimidine (CID 106973827) is 4-(4-chloro-3-methylpiperidin-1-yl)-6-methylsulfanylpyrimidine.
What is the SMILES notation for 4-(4-chloro-3-methylpiperidin-1-yl)-6-methylsulfanylpyrimidine?
The canonical SMILES for 4-(4-chloro-3-methylpiperidin-1-yl)-6-methylsulfanylpyrimidine is CSc1cc(N2CCC(Cl)C(C)C2)ncn1.
What is the InChIKey of 4-(4-chloro-3-methylpiperidin-1-yl)-6-methylsulfanylpyrimidine?
The InChIKey is SBYIAXMVBMQLOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3S/c1-8-6-15(4-3-9(8)12)10-5-11(16-2)14-7-13-10/h5,7-9H,3-4,6H2,1-2H3.
What are the key properties of 4-(4-chloro-3-methylpiperidin-1-yl)-6-methylsulfanylpyrimidine?
4-(4-chloro-3-methylpiperidin-1-yl)-6-methylsulfanylpyrimidine has a molecular weight of 257.79 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-3-methylpiperidin-1-yl)-6-methylsulfanylpyrimidine is sourced from PubChem (CID 106973827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).