4-methoxy-6-methyl-N-(4-methylsulfinylbutan-2-yl)pyrimidin-2-amine

C11H19N3O2S — CID 115669300

IUPAC4-methoxy-6-methyl-N-(4-methylsulfinylbutan-2-yl)pyrimidin-2-amine
SMILESCOc1cc(C)nc(NC(C)CCS(C)=O)n1
InChIInChI=1S/C11H19N3O2S/c1-8(5-6-17(4)15)12-11-13-9(2)7-10(14-11)16-3/h7-8H,5-6H2,1-4H3,(H,12,13,14)
InChIKeyXCSQILKJLPKIKG-UHFFFAOYSA-N
MW257.36 g/mol
LogP1.36
Rot. Bonds6

About 4-methoxy-6-methyl-N-(4-methylsulfinylbutan-2-yl)pyrimidin-2-amine

4-methoxy-6-methyl-N-(4-methylsulfinylbutan-2-yl)pyrimidin-2-amine (PubChem CID 115669300) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is 4-methoxy-6-methyl-N-(4-methylsulfinylbutan-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-methoxy-6-methyl-N-(4-methylsulfinylbutan-2-yl)pyrimidin-2-amine
PubChem CID115669300
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Name4-methoxy-6-methyl-N-(4-methylsulfinylbutan-2-yl)pyrimidin-2-amine
SMILESCOc1cc(C)nc(NC(C)CCS(C)=O)n1
InChIInChI=1S/C11H19N3O2S/c1-8(5-6-17(4)15)12-11-13-9(2)7-10(14-11)16-3/h7-8H,5-6H2,1-4H3,(H,12,13,14)
InChIKeyXCSQILKJLPKIKG-UHFFFAOYSA-N
XLogP1.36
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chlorobutan-2-yl)-4,6-dimethoxypyrimidin-2-amine
CID 83186652
2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-3-methylbutan-1-ol
CID 112638162
2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-N,N-dimethylpropanamide
CID 112691017
4-methoxy-6-methyl-N-(1-piperidin-1-ylpropan-2-yl)pyrimidin-2-amine
CID 112691746
N-(4-chlorobutan-2-yl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine
CID 112635800
N-(dicyclopropylmethyl)-4-methoxy-6-methylpyrimidin-2-amine
CID 112691713
4-methoxy-6-methyl-N-(1-methylsulfanylbutan-2-yl)pyrimidin-2-amine
CID 115899319
3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-2-methylsulfanylbutan-1-ol
CID 113239917
3-bromo-5-methyl-N-(4-methylsulfinylbutan-2-yl)pyridin-2-amine
CID 105367164
2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-2-phenylethanol
CID 112691748
4-methoxy-6-methyl-N-(3-methylsulfanylbutyl)pyrimidin-2-amine
CID 115633959
4-N-(4,6-dimethoxypyrimidin-2-yl)-1-N,1-N-diethylpentane-1,4-diamine
CID 115354932

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-methyl-N-(4-methylsulfinylbutan-2-yl)pyrimidin-2-amine?
The IUPAC name of 4-methoxy-6-methyl-N-(4-methylsulfinylbutan-2-yl)pyrimidin-2-amine (CID 115669300) is 4-methoxy-6-methyl-N-(4-methylsulfinylbutan-2-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-methoxy-6-methyl-N-(4-methylsulfinylbutan-2-yl)pyrimidin-2-amine?
The canonical SMILES for 4-methoxy-6-methyl-N-(4-methylsulfinylbutan-2-yl)pyrimidin-2-amine is COc1cc(C)nc(NC(C)CCS(C)=O)n1.
What is the InChIKey of 4-methoxy-6-methyl-N-(4-methylsulfinylbutan-2-yl)pyrimidin-2-amine?
The InChIKey is XCSQILKJLPKIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-8(5-6-17(4)15)12-11-13-9(2)7-10(14-11)16-3/h7-8H,5-6H2,1-4H3,(H,12,13,14).
What are the key properties of 4-methoxy-6-methyl-N-(4-methylsulfinylbutan-2-yl)pyrimidin-2-amine?
4-methoxy-6-methyl-N-(4-methylsulfinylbutan-2-yl)pyrimidin-2-amine has a molecular weight of 257.36 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-methyl-N-(4-methylsulfinylbutan-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 115669300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).