4,6-dimethyl-N-(2-methylsulfinylethyl)pyrimidin-2-amine

C9H15N3OS — CID 115631573

IUPAC4,6-dimethyl-N-(2-methylsulfinylethyl)pyrimidin-2-amine
SMILESCc1cc(C)nc(NCCS(C)=O)n1
InChIInChI=1S/C9H15N3OS/c1-7-6-8(2)12-9(11-7)10-4-5-14(3)13/h6H,4-5H2,1-3H3,(H,10,11,12)
InChIKeyUFMOQNXMMWAWRO-UHFFFAOYSA-N
MW213.31 g/mol
LogP0.88
Rot. Bonds4

About 4,6-dimethyl-N-(2-methylsulfinylethyl)pyrimidin-2-amine

4,6-dimethyl-N-(2-methylsulfinylethyl)pyrimidin-2-amine (PubChem CID 115631573) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is 4,6-dimethyl-N-(2-methylsulfinylethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4,6-dimethyl-N-(2-methylsulfinylethyl)pyrimidin-2-amine
PubChem CID115631573
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name4,6-dimethyl-N-(2-methylsulfinylethyl)pyrimidin-2-amine
SMILESCc1cc(C)nc(NCCS(C)=O)n1
InChIInChI=1S/C9H15N3OS/c1-7-6-8(2)12-9(11-7)10-4-5-14(3)13/h6H,4-5H2,1-3H3,(H,10,11,12)
InChIKeyUFMOQNXMMWAWRO-UHFFFAOYSA-N
XLogP0.88
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-4-N-(2-methylsulfinylethyl)-2-N-propylpyrimidine-2,4-diamine
CID 113480698
6-methyl-2-(2-methylsulfinylethylamino)pyrimidine-4-carbonitrile
CID 107545228
4,6-dimethyl-N-(3-methylsulfinylbutyl)pyrimidin-2-amine
CID 115715766
6-methyl-2-(3-methylsulfinylpropylamino)pyrimidine-4-carbonitrile
CID 107545250
4,5-dimethyl-N-(2-methylsulfinylethyl)pyrimidin-2-amine
CID 131209110
2-(2-ethylsulfinylethylamino)-6-methylpyrimidine-4-carboxylic acid
CID 107554424
2-N-(2-methylsulfinylethyl)pyrimidine-2,4-diamine
CID 116797406
4,6-dimethyl-2-[(2-sulfinohydrazinyl)methylamino]pyrimidine
CID 163916214
4-methyl-N-(2-methylsulfinylethyl)-1-propylimidazol-2-amine
CID 106581398
N-(4,6-dimethylpyrimidin-2-yl)-N',N'-diethylpropane-1,3-diamine
CID 504351
2-[2-[(4,6-dimethylpyrimidin-2-yl)amino]ethoxy]ethanol
CID 60732417
tert-butyl N-[3-[(4,6-dimethylpyrimidin-2-yl)amino]propyl]carbamate
CID 115611755

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-N-(2-methylsulfinylethyl)pyrimidin-2-amine?
The IUPAC name of 4,6-dimethyl-N-(2-methylsulfinylethyl)pyrimidin-2-amine (CID 115631573) is 4,6-dimethyl-N-(2-methylsulfinylethyl)pyrimidin-2-amine.
What is the SMILES notation for 4,6-dimethyl-N-(2-methylsulfinylethyl)pyrimidin-2-amine?
The canonical SMILES for 4,6-dimethyl-N-(2-methylsulfinylethyl)pyrimidin-2-amine is Cc1cc(C)nc(NCCS(C)=O)n1.
What is the InChIKey of 4,6-dimethyl-N-(2-methylsulfinylethyl)pyrimidin-2-amine?
The InChIKey is UFMOQNXMMWAWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-7-6-8(2)12-9(11-7)10-4-5-14(3)13/h6H,4-5H2,1-3H3,(H,10,11,12).
What are the key properties of 4,6-dimethyl-N-(2-methylsulfinylethyl)pyrimidin-2-amine?
4,6-dimethyl-N-(2-methylsulfinylethyl)pyrimidin-2-amine has a molecular weight of 213.31 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-N-(2-methylsulfinylethyl)pyrimidin-2-amine is sourced from PubChem (CID 115631573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).