[1-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylsulfanylpiperidin-4-yl]methanamine

C13H22N4OS — CID 112634707

IUPAC[1-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylsulfanylpiperidin-4-yl]methanamine
SMILESCOc1cc(C)nc(N2CCC(CN)(SC)CC2)n1
InChIInChI=1S/C13H22N4OS/c1-10-8-11(18-2)16-12(15-10)17-6-4-13(9-14,19-3)5-7-17/h8H,4-7,9,14H2,1-3H3
InChIKeyUTLRFIRCTQWPPS-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.45
Rot. Bonds4

About [1-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylsulfanylpiperidin-4-yl]methanamine

[1-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylsulfanylpiperidin-4-yl]methanamine (PubChem CID 112634707) has the molecular formula C13H22N4OS and a molecular weight of 282.41 g/mol. Its IUPAC name is [1-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylsulfanylpiperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylsulfanylpiperidin-4-yl]methanamine
PubChem CID112634707
Molecular FormulaC13H22N4OS
Molecular Weight282.41 g/mol
Exact Mass282.15
IUPAC Name[1-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylsulfanylpiperidin-4-yl]methanamine
SMILESCOc1cc(C)nc(N2CCC(CN)(SC)CC2)n1
InChIInChI=1S/C13H22N4OS/c1-10-8-11(18-2)16-12(15-10)17-6-4-13(9-14,19-3)5-7-17/h8H,4-7,9,14H2,1-3H3
InChIKeyUTLRFIRCTQWPPS-UHFFFAOYSA-N
XLogP1.45
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [1-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylsulfanylpiperidin-4-yl]methanamine with MolForge

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Related Compounds

[1-(4-methyl-6-propoxypyrimidin-2-yl)-4-methylsulfanylpiperidin-4-yl]methanamine
CID 115973341
4-ethyl-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-4-carboxylic acid
CID 115973034
[4-methyl-1-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)piperidin-4-yl]methanamine
CID 107160311
3-ethyl-1-(4-methoxy-6-methylpyrimidin-2-yl)azetidin-3-amine
CID 112635867
4-(4-fluorophenyl)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidin-4-ol
CID 3228710
1-[1-(4-methoxy-6-methylpyrimidin-2-yl)piperidin-4-yl]-N-methylmethanamine
CID 112634860
3-ethyl-1-(4-methoxy-6-methylpyrimidin-2-yl)azetidin-3-ol
CID 146128971
[1-(5,6-dimethylpyrazin-2-yl)-4-methylsulfanylpiperidin-4-yl]methanamine
CID 114474796
2-[4-(4-methoxy-6-methylpyrimidin-2-yl)-1,4-diazepan-1-yl]ethanol
CID 146132286
2-[4-(1-bromoethyl)piperidin-1-yl]-4-methoxy-6-methylpyrimidine
CID 106838651
4-methoxy-6-methyl-2-[(3R)-3-methylpiperazin-1-yl]pyrimidine
CID 104976163
4-methoxy-6-methyl-2-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine
CID 4584167

Frequently Asked Questions

What is the IUPAC name of [1-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylsulfanylpiperidin-4-yl]methanamine?
The IUPAC name of [1-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylsulfanylpiperidin-4-yl]methanamine (CID 112634707) is [1-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylsulfanylpiperidin-4-yl]methanamine.
What is the SMILES notation for [1-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylsulfanylpiperidin-4-yl]methanamine?
The canonical SMILES for [1-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylsulfanylpiperidin-4-yl]methanamine is COc1cc(C)nc(N2CCC(CN)(SC)CC2)n1.
What is the InChIKey of [1-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylsulfanylpiperidin-4-yl]methanamine?
The InChIKey is UTLRFIRCTQWPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4OS/c1-10-8-11(18-2)16-12(15-10)17-6-4-13(9-14,19-3)5-7-17/h8H,4-7,9,14H2,1-3H3.
What are the key properties of [1-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylsulfanylpiperidin-4-yl]methanamine?
[1-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylsulfanylpiperidin-4-yl]methanamine has a molecular weight of 282.41 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylsulfanylpiperidin-4-yl]methanamine is sourced from PubChem (CID 112634707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).