N-[[4,6-dimethyl-2-(4-methylsulfanylphenyl)pyrimidin-5-yl]methyl]ethanamine

C16H21N3S — CID 106849847

IUPACN-[[4,6-dimethyl-2-(4-methylsulfanylphenyl)pyrimidin-5-yl]methyl]ethanamine
SMILESCCNCc1c(C)nc(-c2ccc(SC)cc2)nc1C
InChIInChI=1S/C16H21N3S/c1-5-17-10-15-11(2)18-16(19-12(15)3)13-6-8-14(20-4)9-7-13/h6-9,17H,5,10H2,1-4H3
InChIKeySVMYPLGZEUVIJP-UHFFFAOYSA-N
MW287.43 g/mol
LogP3.59
Rot. Bonds5

About N-[[4,6-dimethyl-2-(4-methylsulfanylphenyl)pyrimidin-5-yl]methyl]ethanamine

N-[[4,6-dimethyl-2-(4-methylsulfanylphenyl)pyrimidin-5-yl]methyl]ethanamine (PubChem CID 106849847) has the molecular formula C16H21N3S and a molecular weight of 287.43 g/mol. Its IUPAC name is N-[[4,6-dimethyl-2-(4-methylsulfanylphenyl)pyrimidin-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4,6-dimethyl-2-(4-methylsulfanylphenyl)pyrimidin-5-yl]methyl]ethanamine
PubChem CID106849847
Molecular FormulaC16H21N3S
Molecular Weight287.43 g/mol
Exact Mass287.15
IUPAC NameN-[[4,6-dimethyl-2-(4-methylsulfanylphenyl)pyrimidin-5-yl]methyl]ethanamine
SMILESCCNCc1c(C)nc(-c2ccc(SC)cc2)nc1C
InChIInChI=1S/C16H21N3S/c1-5-17-10-15-11(2)18-16(19-12(15)3)13-6-8-14(20-4)9-7-13/h6-9,17H,5,10H2,1-4H3
InChIKeySVMYPLGZEUVIJP-UHFFFAOYSA-N
XLogP3.59
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[5-(ethylaminomethyl)-4,6-dimethylpyrimidin-2-yl]phenol
CID 136889467
3-[4,6-dimethyl-2-(4-methylsulfanylphenyl)pyrimidin-5-yl]-N-methylpropan-1-amine
CID 106849840
N-[[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
CID 106847348
N-[[4,6-dimethyl-2-(3-methylphenyl)pyrimidin-5-yl]methyl]ethanamine
CID 55113779
4-[4,6-dimethyl-5-[(2-methylpropylamino)methyl]pyrimidin-2-yl]phenol
CID 136889475
N-[(2,4,6-trimethylpyrimidin-5-yl)methyl]ethanamine
CID 62745483
N-[[4,6-dimethyl-2-(3-methylfuran-2-yl)pyrimidin-5-yl]methyl]ethanamine
CID 113455509
N-[[5-(4-methylsulfanylphenyl)-1,3-oxazol-2-yl]methyl]ethanamine
CID 79206694
N,6-diethyl-5-methyl-2-(4-methylsulfanylphenyl)pyrimidin-4-amine
CID 63561391
N-[(4,6-dimethyl-2-pyridin-2-ylpyrimidin-5-yl)methyl]ethanamine
CID 62744443
5-bromo-N,6-dimethyl-2-(4-methylsulfanylphenyl)pyrimidin-4-amine
CID 66304226
N-[[2-(3,4-dichlorophenyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-1-amine
CID 81495126

Frequently Asked Questions

What is the IUPAC name of N-[[4,6-dimethyl-2-(4-methylsulfanylphenyl)pyrimidin-5-yl]methyl]ethanamine?
The IUPAC name of N-[[4,6-dimethyl-2-(4-methylsulfanylphenyl)pyrimidin-5-yl]methyl]ethanamine (CID 106849847) is N-[[4,6-dimethyl-2-(4-methylsulfanylphenyl)pyrimidin-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[4,6-dimethyl-2-(4-methylsulfanylphenyl)pyrimidin-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[4,6-dimethyl-2-(4-methylsulfanylphenyl)pyrimidin-5-yl]methyl]ethanamine is CCNCc1c(C)nc(-c2ccc(SC)cc2)nc1C.
What is the InChIKey of N-[[4,6-dimethyl-2-(4-methylsulfanylphenyl)pyrimidin-5-yl]methyl]ethanamine?
The InChIKey is SVMYPLGZEUVIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3S/c1-5-17-10-15-11(2)18-16(19-12(15)3)13-6-8-14(20-4)9-7-13/h6-9,17H,5,10H2,1-4H3.
What are the key properties of N-[[4,6-dimethyl-2-(4-methylsulfanylphenyl)pyrimidin-5-yl]methyl]ethanamine?
N-[[4,6-dimethyl-2-(4-methylsulfanylphenyl)pyrimidin-5-yl]methyl]ethanamine has a molecular weight of 287.43 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4,6-dimethyl-2-(4-methylsulfanylphenyl)pyrimidin-5-yl]methyl]ethanamine is sourced from PubChem (CID 106849847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).