1-[[1-(6-chloro-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]methyl]pyrrolidin-2-one

C15H21ClN4OS — CID 14554108

IUPAC1-[[1-(6-chloro-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]methyl]pyrrolidin-2-one
SMILESCSc1nc(Cl)cc(N2CCC(CN3CCCC3=O)CC2)n1
InChIInChI=1S/C15H21ClN4OS/c1-22-15-17-12(16)9-13(18-15)19-7-4-11(5-8-19)10-20-6-2-3-14(20)21/h9,11H,2-8,10H2,1H3
InChIKeyWVVMLQUNKKMYMG-UHFFFAOYSA-N
MW340.88 g/mol
LogP2.69
Rot. Bonds4

About 1-[[1-(6-chloro-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]methyl]pyrrolidin-2-one

1-[[1-(6-chloro-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]methyl]pyrrolidin-2-one (PubChem CID 14554108) has the molecular formula C15H21ClN4OS and a molecular weight of 340.88 g/mol. Its IUPAC name is 1-[[1-(6-chloro-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[1-(6-chloro-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]methyl]pyrrolidin-2-one
PubChem CID14554108
Molecular FormulaC15H21ClN4OS
Molecular Weight340.88 g/mol
Exact Mass340.11
IUPAC Name1-[[1-(6-chloro-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]methyl]pyrrolidin-2-one
SMILESCSc1nc(Cl)cc(N2CCC(CN3CCCC3=O)CC2)n1
InChIInChI=1S/C15H21ClN4OS/c1-22-15-17-12(16)9-13(18-15)19-7-4-11(5-8-19)10-20-6-2-3-14(20)21/h9,11H,2-8,10H2,1H3
InChIKeyWVVMLQUNKKMYMG-UHFFFAOYSA-N
XLogP2.69
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.88
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[1-(6-chloropyrimidin-4-yl)piperidin-4-yl]methyl]pyrrolidin-2-one
CID 14554102
1-[[1-[5-(methylsulfanylmethyl)-2-pyridinyl]piperidin-4-yl]methyl]pyrrolidin-2-one
CID 70764539
[(3R)-1-(6-chloro-2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]methanol
CID 86329188
4-chloro-6-(4-ethylpiperazin-1-yl)-2-methylsulfanylpyrimidine
CID 80545554
1-(6-chloro-2-methylsulfanylpyrimidin-4-yl)-N,N-diethylpyrrolidin-3-amine
CID 80546846
4-chloro-2-methylsulfanyl-6-(4-methylsulfonylpiperazin-1-yl)pyrimidine
CID 80546991
4-chloro-6-(3-methoxypiperidin-1-yl)-2-methylsulfanylpyrimidine
CID 102963287
4-(6-chloro-2-methylsulfanylpyrimidin-4-yl)-1,4-diazepan-2-one
CID 80546802
1-[(1-tert-butylpiperidin-4-yl)methyl]pyrrolidin-2-one
CID 59776829
4-chloro-6-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylsulfanylpyrimidine
CID 1484532
N-methyl-2-methylsulfanyl-6-(4-propylpiperidin-1-yl)pyrimidin-4-amine
CID 80822489
1-[[1-[(2-methylsulfanylphenyl)methyl]piperidin-4-yl]methyl]pyrrolidin-2-one
CID 70773529

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(6-chloro-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[1-(6-chloro-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]methyl]pyrrolidin-2-one (CID 14554108) is 1-[[1-(6-chloro-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[1-(6-chloro-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[1-(6-chloro-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]methyl]pyrrolidin-2-one is CSc1nc(Cl)cc(N2CCC(CN3CCCC3=O)CC2)n1.
What is the InChIKey of 1-[[1-(6-chloro-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]methyl]pyrrolidin-2-one?
The InChIKey is WVVMLQUNKKMYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4OS/c1-22-15-17-12(16)9-13(18-15)19-7-4-11(5-8-19)10-20-6-2-3-14(20)21/h9,11H,2-8,10H2,1H3.
What are the key properties of 1-[[1-(6-chloro-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]methyl]pyrrolidin-2-one?
1-[[1-(6-chloro-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]methyl]pyrrolidin-2-one has a molecular weight of 340.88 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(6-chloro-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 14554108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).