N-methyl-1-[2-methyl-4-(4-methylsulfanylpiperidin-1-yl)pyrimidin-5-yl]methanamine

C13H22N4S — CID 114238187

IUPACN-methyl-1-[2-methyl-4-(4-methylsulfanylpiperidin-1-yl)pyrimidin-5-yl]methanamine
SMILESCNCc1cnc(C)nc1N1CCC(SC)CC1
InChIInChI=1S/C13H22N4S/c1-10-15-9-11(8-14-2)13(16-10)17-6-4-12(18-3)5-7-17/h9,12,14H,4-8H2,1-3H3
InChIKeyYTAJDFXHNXVNEY-UHFFFAOYSA-N
MW266.41 g/mol
LogP1.84
Rot. Bonds4

About N-methyl-1-[2-methyl-4-(4-methylsulfanylpiperidin-1-yl)pyrimidin-5-yl]methanamine

N-methyl-1-[2-methyl-4-(4-methylsulfanylpiperidin-1-yl)pyrimidin-5-yl]methanamine (PubChem CID 114238187) has the molecular formula C13H22N4S and a molecular weight of 266.41 g/mol. Its IUPAC name is N-methyl-1-[2-methyl-4-(4-methylsulfanylpiperidin-1-yl)pyrimidin-5-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-methyl-4-(4-methylsulfanylpiperidin-1-yl)pyrimidin-5-yl]methanamine
PubChem CID114238187
Molecular FormulaC13H22N4S
Molecular Weight266.41 g/mol
Exact Mass266.16
IUPAC NameN-methyl-1-[2-methyl-4-(4-methylsulfanylpiperidin-1-yl)pyrimidin-5-yl]methanamine
SMILESCNCc1cnc(C)nc1N1CCC(SC)CC1
InChIInChI=1S/C13H22N4S/c1-10-15-9-11(8-14-2)13(16-10)17-6-4-12(18-3)5-7-17/h9,12,14H,4-8H2,1-3H3
InChIKeyYTAJDFXHNXVNEY-UHFFFAOYSA-N
XLogP1.84
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-methyl-4-(4-methylsulfanylazepan-1-yl)pyrimidin-5-yl]methanol
CID 114237753
N-[(2-methyl-4-pyrrolidin-1-ylpyrimidin-5-yl)methyl]propan-1-amine
CID 114215762
1-(5-ethyl-2-methylpyrimidin-4-yl)-N-methylpyrrolidine-3-carboxamide
CID 50979976
N-[1-(5-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]methanesulfonamide
CID 50972218
1-(5-ethyl-2-methylpyrimidin-4-yl)-4-methylazepane
CID 135092676
4-(3-tert-butylpyrrolidin-1-yl)-5-(chloromethyl)-2-methylpyrimidine
CID 114215543
N-[[2-methyl-4-(2-methylpyrrolidin-1-yl)pyrimidin-5-yl]methyl]propan-2-amine
CID 114215748
5-ethyl-2-methyl-4-[4-[(1R)-1-pyrrolidin-1-ylethyl]piperidin-1-yl]pyrimidine
CID 95135800
N,N-dimethyl-1-[5-(methylaminomethyl)pyrimidin-4-yl]piperidin-4-amine
CID 114216020
1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-5-yl]-N-methylmethanamine
CID 114216739
N-methyl-1-[2-(4-methylsulfanylazepan-1-yl)-1,3-oxazol-4-yl]methanamine
CID 114238222
N,N-dimethyl-1-[4-methyl-5-(methylaminomethyl)pyrimidin-2-yl]piperidin-4-amine
CID 83185173

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-methyl-4-(4-methylsulfanylpiperidin-1-yl)pyrimidin-5-yl]methanamine?
The IUPAC name of N-methyl-1-[2-methyl-4-(4-methylsulfanylpiperidin-1-yl)pyrimidin-5-yl]methanamine (CID 114238187) is N-methyl-1-[2-methyl-4-(4-methylsulfanylpiperidin-1-yl)pyrimidin-5-yl]methanamine.
What is the SMILES notation for N-methyl-1-[2-methyl-4-(4-methylsulfanylpiperidin-1-yl)pyrimidin-5-yl]methanamine?
The canonical SMILES for N-methyl-1-[2-methyl-4-(4-methylsulfanylpiperidin-1-yl)pyrimidin-5-yl]methanamine is CNCc1cnc(C)nc1N1CCC(SC)CC1.
What is the InChIKey of N-methyl-1-[2-methyl-4-(4-methylsulfanylpiperidin-1-yl)pyrimidin-5-yl]methanamine?
The InChIKey is YTAJDFXHNXVNEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4S/c1-10-15-9-11(8-14-2)13(16-10)17-6-4-12(18-3)5-7-17/h9,12,14H,4-8H2,1-3H3.
What are the key properties of N-methyl-1-[2-methyl-4-(4-methylsulfanylpiperidin-1-yl)pyrimidin-5-yl]methanamine?
N-methyl-1-[2-methyl-4-(4-methylsulfanylpiperidin-1-yl)pyrimidin-5-yl]methanamine has a molecular weight of 266.41 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-methyl-4-(4-methylsulfanylpiperidin-1-yl)pyrimidin-5-yl]methanamine is sourced from PubChem (CID 114238187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).