4-methoxy-6-methyl-N-(2-methylsulfonylethyl)pyrimidin-2-amine

C9H15N3O3S — CID 112691022

IUPAC4-methoxy-6-methyl-N-(2-methylsulfonylethyl)pyrimidin-2-amine
SMILESCOc1cc(C)nc(NCCS(C)(=O)=O)n1
InChIInChI=1S/C9H15N3O3S/c1-7-6-8(15-2)12-9(11-7)10-4-5-16(3,13)14/h6H,4-5H2,1-3H3,(H,10,11,12)
InChIKeyIDMVQAVKHHBKJX-UHFFFAOYSA-N
MW245.30 g/mol
LogP0.25
Rot. Bonds5

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

4-methoxy-6-methyl-N-(2-methylsulfonylethyl)pyrimidin-2-amine (PubChem CID 112691022) has the molecular formula C9H15N3O3S and a molecular weight of 245.30 g/mol. Its IUPAC name is 4-methoxy-6-methyl-N-(2-methylsulfonylethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-methoxy-6-methyl-N-(2-methylsulfonylethyl)pyrimidin-2-amine
PubChem CID112691022
Molecular FormulaC9H15N3O3S
Molecular Weight245.30 g/mol
Exact Mass245.08
IUPAC Name4-methoxy-6-methyl-N-(2-methylsulfonylethyl)pyrimidin-2-amine
SMILESCOc1cc(C)nc(NCCS(C)(=O)=O)n1
InChIInChI=1S/C9H15N3O3S/c1-7-6-8(15-2)12-9(11-7)10-4-5-16(3,13)14/h6H,4-5H2,1-3H3,(H,10,11,12)
InChIKeyIDMVQAVKHHBKJX-UHFFFAOYSA-N
XLogP0.25
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]propanamide
CID 112691754
N-(4-methoxy-6-methylpyrimidin-2-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 112691667
4-[(4-methoxy-6-methylpyrimidin-2-yl)amino]butanamide
CID 112636843
6-[(4-methoxy-6-methylpyrimidin-2-yl)amino]hexan-1-ol
CID 113351651
2-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)ethanesulfonamide
CID 107605614
2-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)ethanesulfonamide
CID 107652681
N-(4-methoxy-6-methylpyrimidin-2-yl)-3-(methylamino)propane-1-sulfonamide
CID 106089355
7-[(4-methoxy-6-methylpyrimidin-2-yl)amino]heptanoic acid
CID 112634346
N,N'-bis(4-methoxy-6-methylpyrimidin-2-yl)-N'-methylethane-1,2-diamine
CID 166233772
4-methoxy-6-methyl-N-(3-methylsulfanylbutyl)pyrimidin-2-amine
CID 115633959
2-hydrazinyl-6-methyl-N-(2-methylsulfonylethyl)pyrimidin-4-amine
CID 80898571
methyl 4-[(4-methoxy-6-methylpyrimidin-2-yl)sulfamoyl]butanoate
CID 107605578

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-methyl-N-(2-methylsulfonylethyl)pyrimidin-2-amine?
The IUPAC name of 4-methoxy-6-methyl-N-(2-methylsulfonylethyl)pyrimidin-2-amine (CID 112691022) is 4-methoxy-6-methyl-N-(2-methylsulfonylethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-methoxy-6-methyl-N-(2-methylsulfonylethyl)pyrimidin-2-amine?
The canonical SMILES for 4-methoxy-6-methyl-N-(2-methylsulfonylethyl)pyrimidin-2-amine is COc1cc(C)nc(NCCS(C)(=O)=O)n1.
What is the InChIKey of 4-methoxy-6-methyl-N-(2-methylsulfonylethyl)pyrimidin-2-amine?
The InChIKey is IDMVQAVKHHBKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3S/c1-7-6-8(15-2)12-9(11-7)10-4-5-16(3,13)14/h6H,4-5H2,1-3H3,(H,10,11,12).
What are the key properties of 4-methoxy-6-methyl-N-(2-methylsulfonylethyl)pyrimidin-2-amine?
4-methoxy-6-methyl-N-(2-methylsulfonylethyl)pyrimidin-2-amine has a molecular weight of 245.30 g/mol, XLogP of 0.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-methyl-N-(2-methylsulfonylethyl)pyrimidin-2-amine is sourced from PubChem (CID 112691022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).