4-chloro-6-(3-methoxypiperidin-1-yl)-2-methylsulfanylpyrimidine

C11H16ClN3OS — CID 102963287

IUPAC4-chloro-6-(3-methoxypiperidin-1-yl)-2-methylsulfanylpyrimidine
SMILESCOC1CCCN(c2cc(Cl)nc(SC)n2)C1
InChIInChI=1S/C11H16ClN3OS/c1-16-8-4-3-5-15(7-8)10-6-9(12)13-11(14-10)17-2/h6,8H,3-5,7H2,1-2H3
InChIKeyZMUUUDZSMIXMHJ-UHFFFAOYSA-N
MW273.79 g/mol
LogP2.47
Rot. Bonds3

About 4-chloro-6-(3-methoxypiperidin-1-yl)-2-methylsulfanylpyrimidine

4-chloro-6-(3-methoxypiperidin-1-yl)-2-methylsulfanylpyrimidine (PubChem CID 102963287) has the molecular formula C11H16ClN3OS and a molecular weight of 273.79 g/mol. Its IUPAC name is 4-chloro-6-(3-methoxypiperidin-1-yl)-2-methylsulfanylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(3-methoxypiperidin-1-yl)-2-methylsulfanylpyrimidine
PubChem CID102963287
Molecular FormulaC11H16ClN3OS
Molecular Weight273.79 g/mol
Exact Mass273.07
IUPAC Name4-chloro-6-(3-methoxypiperidin-1-yl)-2-methylsulfanylpyrimidine
SMILESCOC1CCCN(c2cc(Cl)nc(SC)n2)C1
InChIInChI=1S/C11H16ClN3OS/c1-16-8-4-3-5-15(7-8)10-6-9(12)13-11(14-10)17-2/h6,8H,3-5,7H2,1-2H3
InChIKeyZMUUUDZSMIXMHJ-UHFFFAOYSA-N
XLogP2.47
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.79
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(3R)-1-(6-chloro-2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]methanol
CID 86329188
4-chloro-6-(3-methoxypyrrolidin-1-yl)-2-methylpyrimidine
CID 108773094
2-chloro-6-(3-methoxypiperidin-1-yl)-4-nitropyridine
CID 113346471
4-chloro-2-cyclopropyl-6-(3-methoxypyrrolidin-1-yl)pyrimidine
CID 103536578
1-(6-chloro-2-methylsulfanylpyrimidin-4-yl)-N,N-diethylpyrrolidin-3-amine
CID 80546846
3-chloro-2-(chloromethyl)-6-(3-methoxypiperidin-1-yl)pyridine
CID 102965992
4-chloro-6-(3-ethyl-4-methylpiperazin-1-yl)-2-methylsulfanylpyrimidine
CID 80547105
4-(6-chloro-2-methylsulfanylpyrimidin-4-yl)-6-methyl-1,4-oxazepane
CID 144717519
4-chloro-6-[(3R)-3-methoxypiperidin-1-yl]-1-methylpyrazolo[5,4-b]pyridine
CID 166284211
4-chloro-2-methylsulfanyl-6-(2-propan-2-ylpyrrolidin-1-yl)pyrimidine
CID 80546864
6-(3-methoxypiperidin-1-yl)-2-propylpyrimidin-4-amine
CID 102971529
4-chloro-6-(4-ethylpiperazin-1-yl)-2-methylsulfanylpyrimidine
CID 80545554

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(3-methoxypiperidin-1-yl)-2-methylsulfanylpyrimidine?
The IUPAC name of 4-chloro-6-(3-methoxypiperidin-1-yl)-2-methylsulfanylpyrimidine (CID 102963287) is 4-chloro-6-(3-methoxypiperidin-1-yl)-2-methylsulfanylpyrimidine.
What is the SMILES notation for 4-chloro-6-(3-methoxypiperidin-1-yl)-2-methylsulfanylpyrimidine?
The canonical SMILES for 4-chloro-6-(3-methoxypiperidin-1-yl)-2-methylsulfanylpyrimidine is COC1CCCN(c2cc(Cl)nc(SC)n2)C1.
What is the InChIKey of 4-chloro-6-(3-methoxypiperidin-1-yl)-2-methylsulfanylpyrimidine?
The InChIKey is ZMUUUDZSMIXMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3OS/c1-16-8-4-3-5-15(7-8)10-6-9(12)13-11(14-10)17-2/h6,8H,3-5,7H2,1-2H3.
What are the key properties of 4-chloro-6-(3-methoxypiperidin-1-yl)-2-methylsulfanylpyrimidine?
4-chloro-6-(3-methoxypiperidin-1-yl)-2-methylsulfanylpyrimidine has a molecular weight of 273.79 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(3-methoxypiperidin-1-yl)-2-methylsulfanylpyrimidine is sourced from PubChem (CID 102963287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).