[1-(4-methyl-6-propoxypyrimidin-2-yl)-4-methylsulfanylpiperidin-4-yl]methanamine

C15H26N4OS — CID 115973341

IUPAC[1-(4-methyl-6-propoxypyrimidin-2-yl)-4-methylsulfanylpiperidin-4-yl]methanamine
SMILESCCCOc1cc(C)nc(N2CCC(CN)(SC)CC2)n1
InChIInChI=1S/C15H26N4OS/c1-4-9-20-13-10-12(2)17-14(18-13)19-7-5-15(11-16,21-3)6-8-19/h10H,4-9,11,16H2,1-3H3
InChIKeyCFTPFJCXJVMVCG-UHFFFAOYSA-N
MW310.47 g/mol
LogP2.23
Rot. Bonds6

About [1-(4-methyl-6-propoxypyrimidin-2-yl)-4-methylsulfanylpiperidin-4-yl]methanamine

[1-(4-methyl-6-propoxypyrimidin-2-yl)-4-methylsulfanylpiperidin-4-yl]methanamine (PubChem CID 115973341) has the molecular formula C15H26N4OS and a molecular weight of 310.47 g/mol. Its IUPAC name is [1-(4-methyl-6-propoxypyrimidin-2-yl)-4-methylsulfanylpiperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-(4-methyl-6-propoxypyrimidin-2-yl)-4-methylsulfanylpiperidin-4-yl]methanamine
PubChem CID115973341
Molecular FormulaC15H26N4OS
Molecular Weight310.47 g/mol
Exact Mass310.18
IUPAC Name[1-(4-methyl-6-propoxypyrimidin-2-yl)-4-methylsulfanylpiperidin-4-yl]methanamine
SMILESCCCOc1cc(C)nc(N2CCC(CN)(SC)CC2)n1
InChIInChI=1S/C15H26N4OS/c1-4-9-20-13-10-12(2)17-14(18-13)19-7-5-15(11-16,21-3)6-8-19/h10H,4-9,11,16H2,1-3H3
InChIKeyCFTPFJCXJVMVCG-UHFFFAOYSA-N
XLogP2.23
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.47
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylsulfanylpiperidin-4-yl]methanamine
CID 112634707
[1-(4-methyl-6-propoxypyrimidin-2-yl)piperidin-4-yl]methanamine
CID 112634703
1-(4-methyl-6-propoxypyrimidin-2-yl)-3-propylazetidin-3-amine
CID 112635869
1-(4-methyl-6-propoxypyrimidin-2-yl)piperidine-4-carboxylic acid
CID 115972892
N-methyl-1-[1-(4-methyl-6-propoxypyrimidin-2-yl)piperidin-4-yl]methanamine
CID 115973409
[4-(4-methyl-6-propoxypyrimidin-2-yl)morpholin-2-yl]methanamine
CID 112634676
2-[1-(4-methyl-6-propoxypyrimidin-2-yl)piperidin-3-yl]ethanamine
CID 115973451
1-(2-chloroethyl)-4-(4-methyl-6-propoxypyrimidin-2-yl)-1,4-diazepane
CID 115973845
[1-(5,6-dimethylpyrazin-2-yl)-4-methylsulfanylpiperidin-4-yl]methanamine
CID 114474796
2-(bromomethyl)-4-(4-methyl-6-propoxypyrimidin-2-yl)morpholine
CID 112635773
[4-methyl-1-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)piperidin-4-yl]methanamine
CID 107160311
6-(bromomethyl)-2,2-dimethyl-4-(4-methyl-6-propoxypyrimidin-2-yl)morpholine
CID 114781072

Frequently Asked Questions

What is the IUPAC name of [1-(4-methyl-6-propoxypyrimidin-2-yl)-4-methylsulfanylpiperidin-4-yl]methanamine?
The IUPAC name of [1-(4-methyl-6-propoxypyrimidin-2-yl)-4-methylsulfanylpiperidin-4-yl]methanamine (CID 115973341) is [1-(4-methyl-6-propoxypyrimidin-2-yl)-4-methylsulfanylpiperidin-4-yl]methanamine.
What is the SMILES notation for [1-(4-methyl-6-propoxypyrimidin-2-yl)-4-methylsulfanylpiperidin-4-yl]methanamine?
The canonical SMILES for [1-(4-methyl-6-propoxypyrimidin-2-yl)-4-methylsulfanylpiperidin-4-yl]methanamine is CCCOc1cc(C)nc(N2CCC(CN)(SC)CC2)n1.
What is the InChIKey of [1-(4-methyl-6-propoxypyrimidin-2-yl)-4-methylsulfanylpiperidin-4-yl]methanamine?
The InChIKey is CFTPFJCXJVMVCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4OS/c1-4-9-20-13-10-12(2)17-14(18-13)19-7-5-15(11-16,21-3)6-8-19/h10H,4-9,11,16H2,1-3H3.
What are the key properties of [1-(4-methyl-6-propoxypyrimidin-2-yl)-4-methylsulfanylpiperidin-4-yl]methanamine?
[1-(4-methyl-6-propoxypyrimidin-2-yl)-4-methylsulfanylpiperidin-4-yl]methanamine has a molecular weight of 310.47 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methyl-6-propoxypyrimidin-2-yl)-4-methylsulfanylpiperidin-4-yl]methanamine is sourced from PubChem (CID 115973341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).