[1-(6-chloro-2-methylsulfanylpyrimidin-4-yl)piperidin-2-yl]methanamine

C11H17ClN4S — CID 71643169

IUPAC[1-(6-chloro-2-methylsulfanylpyrimidin-4-yl)piperidin-2-yl]methanamine
SMILESCSc1nc(Cl)cc(N2CCCCC2CN)n1
InChIInChI=1S/C11H17ClN4S/c1-17-11-14-9(12)6-10(15-11)16-5-3-2-4-8(16)7-13/h6,8H,2-5,7,13H2,1H3
InChIKeyRLLJWYPCKVYJLV-UHFFFAOYSA-N
MW272.81 g/mol
LogP2.17
Rot. Bonds3

About [1-(6-chloro-2-methylsulfanylpyrimidin-4-yl)piperidin-2-yl]methanamine

[1-(6-chloro-2-methylsulfanylpyrimidin-4-yl)piperidin-2-yl]methanamine (PubChem CID 71643169) has the molecular formula C11H17ClN4S and a molecular weight of 272.81 g/mol. Its IUPAC name is [1-(6-chloro-2-methylsulfanylpyrimidin-4-yl)piperidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-(6-chloro-2-methylsulfanylpyrimidin-4-yl)piperidin-2-yl]methanamine
PubChem CID71643169
Molecular FormulaC11H17ClN4S
Molecular Weight272.81 g/mol
Exact Mass272.09
IUPAC Name[1-(6-chloro-2-methylsulfanylpyrimidin-4-yl)piperidin-2-yl]methanamine
SMILESCSc1nc(Cl)cc(N2CCCCC2CN)n1
InChIInChI=1S/C11H17ClN4S/c1-17-11-14-9(12)6-10(15-11)16-5-3-2-4-8(16)7-13/h6,8H,2-5,7,13H2,1H3
InChIKeyRLLJWYPCKVYJLV-UHFFFAOYSA-N
XLogP2.17
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.81
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-2-methylsulfanyl-6-(2-propan-2-ylpyrrolidin-1-yl)pyrimidine
CID 80546864
tert-butyl N-[[1-(6-chloro-2-methylsulfanylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]carbamate
CID 71648579
[2-methylsulfanyl-6-(2-propylpiperidin-1-yl)pyrimidin-4-yl]hydrazine
CID 83056809
2-methylsulfanyl-N-propyl-6-(2-propylpiperidin-1-yl)pyrimidin-4-amine
CID 83045067
[1-(6-chloro-2-pyridinyl)pyrrolidin-2-yl]methanamine;hydrochloride
CID 23369489
2-[1-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]piperidin-2-yl]ethanol
CID 80766985
[(2R)-1-(2-methylsulfanylpyrimidin-4-yl)piperidin-2-yl]methanol
CID 86329335
[(3R)-1-(6-chloro-2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]methanol
CID 86329188
1-[1-(6-chloro-2-propan-2-ylpyrimidin-4-yl)pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 80951641
[(2R)-1-(4-chloropyrimidin-2-yl)piperidin-2-yl]methanamine
CID 97165385
2-[1-(4-amino-6-chloro-2-pyridinyl)piperidin-2-yl]ethanol
CID 114070518
2-[1-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperidin-2-yl]ethanol
CID 80948989

Frequently Asked Questions

What is the IUPAC name of [1-(6-chloro-2-methylsulfanylpyrimidin-4-yl)piperidin-2-yl]methanamine?
The IUPAC name of [1-(6-chloro-2-methylsulfanylpyrimidin-4-yl)piperidin-2-yl]methanamine (CID 71643169) is [1-(6-chloro-2-methylsulfanylpyrimidin-4-yl)piperidin-2-yl]methanamine.
What is the SMILES notation for [1-(6-chloro-2-methylsulfanylpyrimidin-4-yl)piperidin-2-yl]methanamine?
The canonical SMILES for [1-(6-chloro-2-methylsulfanylpyrimidin-4-yl)piperidin-2-yl]methanamine is CSc1nc(Cl)cc(N2CCCCC2CN)n1.
What is the InChIKey of [1-(6-chloro-2-methylsulfanylpyrimidin-4-yl)piperidin-2-yl]methanamine?
The InChIKey is RLLJWYPCKVYJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4S/c1-17-11-14-9(12)6-10(15-11)16-5-3-2-4-8(16)7-13/h6,8H,2-5,7,13H2,1H3.
What are the key properties of [1-(6-chloro-2-methylsulfanylpyrimidin-4-yl)piperidin-2-yl]methanamine?
[1-(6-chloro-2-methylsulfanylpyrimidin-4-yl)piperidin-2-yl]methanamine has a molecular weight of 272.81 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-chloro-2-methylsulfanylpyrimidin-4-yl)piperidin-2-yl]methanamine is sourced from PubChem (CID 71643169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).