N-[[2-(tert-butylsulfanylmethyl)-4-methylpyrimidin-5-yl]methyl]ethanamine

C13H23N3S — CID 114206427

IUPACN-[[2-(tert-butylsulfanylmethyl)-4-methylpyrimidin-5-yl]methyl]ethanamine
SMILESCCNCc1cnc(CSC(C)(C)C)nc1C
InChIInChI=1S/C13H23N3S/c1-6-14-7-11-8-15-12(16-10(11)2)9-17-13(3,4)5/h8,14H,6-7,9H2,1-5H3
InChIKeyJDOMCYHRFFPKJS-UHFFFAOYSA-N
MW253.41 g/mol
LogP2.93
Rot. Bonds5

About N-[[2-(tert-butylsulfanylmethyl)-4-methylpyrimidin-5-yl]methyl]ethanamine

N-[[2-(tert-butylsulfanylmethyl)-4-methylpyrimidin-5-yl]methyl]ethanamine (PubChem CID 114206427) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is N-[[2-(tert-butylsulfanylmethyl)-4-methylpyrimidin-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(tert-butylsulfanylmethyl)-4-methylpyrimidin-5-yl]methyl]ethanamine
PubChem CID114206427
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC NameN-[[2-(tert-butylsulfanylmethyl)-4-methylpyrimidin-5-yl]methyl]ethanamine
SMILESCCNCc1cnc(CSC(C)(C)C)nc1C
InChIInChI=1S/C13H23N3S/c1-6-14-7-11-8-15-12(16-10(11)2)9-17-13(3,4)5/h8,14H,6-7,9H2,1-5H3
InChIKeyJDOMCYHRFFPKJS-UHFFFAOYSA-N
XLogP2.93
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[2-(tert-butylsulfanylmethyl)-4-methylpyrimidin-5-yl]methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-1-[2-(tert-butylsulfanylmethyl)-4-methylpyrimidin-5-yl]ethanamine
CID 103431963
N,N-diethyl-5-(ethylaminomethyl)-4-methylpyrimidin-2-amine
CID 83186097
N-[[2-(2,2-dimethylpropyl)-4-propylpyrimidin-5-yl]methyl]ethanamine
CID 114206620
5-(ethylaminomethyl)-4-methyl-N,N-dipropylpyrimidin-2-amine
CID 83186275
N-[[2-(3,5-dimethylpyrazol-1-yl)-4-methylpyrimidin-5-yl]methyl]ethanamine
CID 83189794
N-[(2-but-3-enoxy-4-methylpyrimidin-5-yl)methyl]ethanamine
CID 83188963
N-[[2-(4-bromopyrazol-1-yl)-4-methylpyrimidin-5-yl]methyl]ethanamine
CID 83189565
N-[[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]ethanamine
CID 83185682
N-[[4-methyl-2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]methyl]ethanamine
CID 83188803
N-[[2-(2,2-dimethylpropyl)pyrimidin-5-yl]methyl]ethanamine
CID 63891334
N-[[2-(tert-butylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 65132309
N-[[4-methyl-2-(2-pyrrolidin-1-ylethoxy)pyrimidin-5-yl]methyl]ethanamine
CID 83189831

Frequently Asked Questions

What is the IUPAC name of N-[[2-(tert-butylsulfanylmethyl)-4-methylpyrimidin-5-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(tert-butylsulfanylmethyl)-4-methylpyrimidin-5-yl]methyl]ethanamine (CID 114206427) is N-[[2-(tert-butylsulfanylmethyl)-4-methylpyrimidin-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(tert-butylsulfanylmethyl)-4-methylpyrimidin-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(tert-butylsulfanylmethyl)-4-methylpyrimidin-5-yl]methyl]ethanamine is CCNCc1cnc(CSC(C)(C)C)nc1C.
What is the InChIKey of N-[[2-(tert-butylsulfanylmethyl)-4-methylpyrimidin-5-yl]methyl]ethanamine?
The InChIKey is JDOMCYHRFFPKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-6-14-7-11-8-15-12(16-10(11)2)9-17-13(3,4)5/h8,14H,6-7,9H2,1-5H3.
What are the key properties of N-[[2-(tert-butylsulfanylmethyl)-4-methylpyrimidin-5-yl]methyl]ethanamine?
N-[[2-(tert-butylsulfanylmethyl)-4-methylpyrimidin-5-yl]methyl]ethanamine has a molecular weight of 253.41 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(tert-butylsulfanylmethyl)-4-methylpyrimidin-5-yl]methyl]ethanamine is sourced from PubChem (CID 114206427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).