4,6-dimethyl-N-(3-methylsulfinylbutyl)pyrimidin-2-amine

C11H19N3OS — CID 115715766

IUPAC4,6-dimethyl-N-(3-methylsulfinylbutyl)pyrimidin-2-amine
SMILESCc1cc(C)nc(NCCC(C)S(C)=O)n1
InChIInChI=1S/C11H19N3OS/c1-8-7-9(2)14-11(13-8)12-6-5-10(3)16(4)15/h7,10H,5-6H2,1-4H3,(H,12,13,14)
InChIKeyMXUGRRAAJDXELU-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.66
Rot. Bonds5

About 4,6-dimethyl-N-(3-methylsulfinylbutyl)pyrimidin-2-amine

4,6-dimethyl-N-(3-methylsulfinylbutyl)pyrimidin-2-amine (PubChem CID 115715766) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 4,6-dimethyl-N-(3-methylsulfinylbutyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4,6-dimethyl-N-(3-methylsulfinylbutyl)pyrimidin-2-amine
PubChem CID115715766
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name4,6-dimethyl-N-(3-methylsulfinylbutyl)pyrimidin-2-amine
SMILESCc1cc(C)nc(NCCC(C)S(C)=O)n1
InChIInChI=1S/C11H19N3OS/c1-8-7-9(2)14-11(13-8)12-6-5-10(3)16(4)15/h7,10H,5-6H2,1-4H3,(H,12,13,14)
InChIKeyMXUGRRAAJDXELU-UHFFFAOYSA-N
XLogP1.66
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,6-dimethyl-N-(2-methylsulfinylethyl)pyrimidin-2-amine
CID 115631573
6-chloro-4-N-methyl-2-N-(3-methylsulfinylbutyl)-1,3,5-triazine-2,4-diamine
CID 113490935
2-N,6-dimethyl-4-N-(3-methylsulfinylbutyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103330232
4-N-tert-butyl-6-methyl-2-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112924628
N'-(4,6-dimethylpyrimidin-2-yl)-N-(2-methylpropyl)propane-1,3-diamine
CID 102536542
1-[2-[(4,6-dimethylpyrimidin-2-yl)amino]ethylamino]propan-2-ol
CID 104594461
6-chloro-N-(3-methylsulfinylbutyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102716198
6-hydrazinyl-N-(3-methylsulfinylbutyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106776163
2-chloro-6-methyl-4-N-(3-methylsulfinylbutyl)pyrimidine-4,5-diamine
CID 114043968
1-[(4,6-dimethylpyrimidin-2-yl)amino]propan-2-ol
CID 43395852
4-N-benzyl-6-methyl-2-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112915511
6-chloro-2-ethyl-5-methyl-N-(3-methylsulfinylbutyl)pyrimidin-4-amine
CID 115715788

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-N-(3-methylsulfinylbutyl)pyrimidin-2-amine?
The IUPAC name of 4,6-dimethyl-N-(3-methylsulfinylbutyl)pyrimidin-2-amine (CID 115715766) is 4,6-dimethyl-N-(3-methylsulfinylbutyl)pyrimidin-2-amine.
What is the SMILES notation for 4,6-dimethyl-N-(3-methylsulfinylbutyl)pyrimidin-2-amine?
The canonical SMILES for 4,6-dimethyl-N-(3-methylsulfinylbutyl)pyrimidin-2-amine is Cc1cc(C)nc(NCCC(C)S(C)=O)n1.
What is the InChIKey of 4,6-dimethyl-N-(3-methylsulfinylbutyl)pyrimidin-2-amine?
The InChIKey is MXUGRRAAJDXELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-8-7-9(2)14-11(13-8)12-6-5-10(3)16(4)15/h7,10H,5-6H2,1-4H3,(H,12,13,14).
What are the key properties of 4,6-dimethyl-N-(3-methylsulfinylbutyl)pyrimidin-2-amine?
4,6-dimethyl-N-(3-methylsulfinylbutyl)pyrimidin-2-amine has a molecular weight of 241.36 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-N-(3-methylsulfinylbutyl)pyrimidin-2-amine is sourced from PubChem (CID 115715766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).