N-[[1-(6-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]methyl]ethanamine

C13H22N4S — CID 106973293

IUPACN-[[1-(6-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]methyl]ethanamine
SMILESCCNCC1CCN(c2cc(SC)ncn2)CC1
InChIInChI=1S/C13H22N4S/c1-3-14-9-11-4-6-17(7-5-11)12-8-13(18-2)16-10-15-12/h8,10-11,14H,3-7,9H2,1-2H3
InChIKeyNHFPWRWQVZVDCK-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.02
Rot. Bonds5

About N-[[1-(6-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]methyl]ethanamine

N-[[1-(6-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]methyl]ethanamine (PubChem CID 106973293) has the molecular formula C13H22N4S and a molecular weight of 266.41 g/mol. Its IUPAC name is N-[[1-(6-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(6-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]methyl]ethanamine
PubChem CID106973293
Molecular FormulaC13H22N4S
Molecular Weight266.41 g/mol
Exact Mass266.16
IUPAC NameN-[[1-(6-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]methyl]ethanamine
SMILESCCNCC1CCN(c2cc(SC)ncn2)CC1
InChIInChI=1S/C13H22N4S/c1-3-14-9-11-4-6-17(7-5-11)12-8-13(18-2)16-10-15-12/h8,10-11,14H,3-7,9H2,1-2H3
InChIKeyNHFPWRWQVZVDCK-UHFFFAOYSA-N
XLogP2.02
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]methyl]ethanamine
CID 62593889
N-[[1-(6-propan-2-yloxypyrimidin-4-yl)piperidin-4-yl]methyl]ethanamine
CID 66333648
4-(4-bromopiperidin-1-yl)-6-methylsulfanylpyrimidine
CID 106973777
2-methyl-N-[[1-(6-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]methyl]propan-1-amine
CID 106973651
N-methyl-1-(6-methylsulfanylpyrimidin-4-yl)pyrrolidin-3-amine
CID 106973300
2-[4-(ethylaminomethyl)piperidin-1-yl]pyridine-4-carbonitrile
CID 80551978
N-[[1-(6-propoxypyrimidin-4-yl)piperidin-3-yl]methyl]ethanamine
CID 66331580
4-(4-chloro-3-methylpiperidin-1-yl)-6-methylsulfanylpyrimidine
CID 106973827
(3R)-1-(6-methylsulfanylpyrimidin-4-yl)piperidin-3-amine
CID 106973343
N-[[1-(6-propan-2-yloxypyrimidin-4-yl)piperidin-4-yl]methyl]propan-1-amine
CID 66333649
N-[[1-(6-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]methyl]ethanamine
CID 62592540
N-methyl-1-[1-(6-propoxypyrimidin-4-yl)piperidin-4-yl]methanamine
CID 66332385

Frequently Asked Questions

What is the IUPAC name of N-[[1-(6-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(6-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]methyl]ethanamine (CID 106973293) is N-[[1-(6-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(6-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(6-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]methyl]ethanamine is CCNCC1CCN(c2cc(SC)ncn2)CC1.
What is the InChIKey of N-[[1-(6-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]methyl]ethanamine?
The InChIKey is NHFPWRWQVZVDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4S/c1-3-14-9-11-4-6-17(7-5-11)12-8-13(18-2)16-10-15-12/h8,10-11,14H,3-7,9H2,1-2H3.
What are the key properties of N-[[1-(6-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]methyl]ethanamine?
N-[[1-(6-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]methyl]ethanamine has a molecular weight of 266.41 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(6-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]methyl]ethanamine is sourced from PubChem (CID 106973293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).