4-ethoxy-6-methyl-N-(2-methyl-2-methylsulfonylpropyl)pyrimidin-2-amine

C12H21N3O3S — CID 112638194

IUPAC4-ethoxy-6-methyl-N-(2-methyl-2-methylsulfonylpropyl)pyrimidin-2-amine
SMILESCCOc1cc(C)nc(NCC(C)(C)S(C)(=O)=O)n1
InChIInChI=1S/C12H21N3O3S/c1-6-18-10-7-9(2)14-11(15-10)13-8-12(3,4)19(5,16)17/h7H,6,8H2,1-5H3,(H,13,14,15)
InChIKeyPCJXOXIISSUYPB-UHFFFAOYSA-N
MW287.39 g/mol
LogP1.42
Rot. Bonds6

About 4-ethoxy-6-methyl-N-(2-methyl-2-methylsulfonylpropyl)pyrimidin-2-amine

4-ethoxy-6-methyl-N-(2-methyl-2-methylsulfonylpropyl)pyrimidin-2-amine (PubChem CID 112638194) has the molecular formula C12H21N3O3S and a molecular weight of 287.39 g/mol. Its IUPAC name is 4-ethoxy-6-methyl-N-(2-methyl-2-methylsulfonylpropyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-ethoxy-6-methyl-N-(2-methyl-2-methylsulfonylpropyl)pyrimidin-2-amine
PubChem CID112638194
Molecular FormulaC12H21N3O3S
Molecular Weight287.39 g/mol
Exact Mass287.13
IUPAC Name4-ethoxy-6-methyl-N-(2-methyl-2-methylsulfonylpropyl)pyrimidin-2-amine
SMILESCCOc1cc(C)nc(NCC(C)(C)S(C)(=O)=O)n1
InChIInChI=1S/C12H21N3O3S/c1-6-18-10-7-9(2)14-11(15-10)13-8-12(3,4)19(5,16)17/h7H,6,8H2,1-5H3,(H,13,14,15)
InChIKeyPCJXOXIISSUYPB-UHFFFAOYSA-N
XLogP1.42
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-ethoxy-6-methyl-N-(2-methyl-2-methylsulfonylpropyl)pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-1-N-(4-methyl-6-propoxypyrimidin-2-yl)propane-1,2-diamine
CID 112635096
4-ethoxy-6-methyl-N-prop-2-ynylpyrimidin-2-amine
CID 112637451
N'-(4-ethoxy-6-methylpyrimidin-2-yl)-N-ethylethane-1,2-diamine
CID 112634830
4-ethoxy-6-methyl-N-(2-methylsulfanylethyl)pyrimidin-2-amine
CID 112637746
N-(2-chloropropyl)-4-ethoxy-6-methylpyrimidin-2-amine
CID 112635580
4-chloro-6-ethoxy-N-(2-methyl-2-methylsulfonylpropyl)-1,3,5-triazin-2-amine
CID 79555926
N-(1,3-dichloro-2-methylpropan-2-yl)-4-ethoxy-6-methylpyrimidin-2-amine
CID 112635793
4-ethoxy-N-(5-methoxypentyl)-6-methylpyrimidin-2-amine
CID 114131177
N-[3-[(4-methyl-6-propoxypyrimidin-2-yl)amino]propyl]methanesulfonamide
CID 106337209
4-[(4-ethoxy-6-methylpyrimidin-2-yl)amino]butan-1-ol
CID 106842653
4-ethoxy-N-(1-methoxy-2-methylpropan-2-yl)-6-methylpyrimidin-2-amine
CID 113470425
N-(3-chloro-2,2-dimethylpropyl)-4-methyl-6-propoxypyrimidin-2-amine
CID 112635787

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-6-methyl-N-(2-methyl-2-methylsulfonylpropyl)pyrimidin-2-amine?
The IUPAC name of 4-ethoxy-6-methyl-N-(2-methyl-2-methylsulfonylpropyl)pyrimidin-2-amine (CID 112638194) is 4-ethoxy-6-methyl-N-(2-methyl-2-methylsulfonylpropyl)pyrimidin-2-amine.
What is the SMILES notation for 4-ethoxy-6-methyl-N-(2-methyl-2-methylsulfonylpropyl)pyrimidin-2-amine?
The canonical SMILES for 4-ethoxy-6-methyl-N-(2-methyl-2-methylsulfonylpropyl)pyrimidin-2-amine is CCOc1cc(C)nc(NCC(C)(C)S(C)(=O)=O)n1.
What is the InChIKey of 4-ethoxy-6-methyl-N-(2-methyl-2-methylsulfonylpropyl)pyrimidin-2-amine?
The InChIKey is PCJXOXIISSUYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3S/c1-6-18-10-7-9(2)14-11(15-10)13-8-12(3,4)19(5,16)17/h7H,6,8H2,1-5H3,(H,13,14,15).
What are the key properties of 4-ethoxy-6-methyl-N-(2-methyl-2-methylsulfonylpropyl)pyrimidin-2-amine?
4-ethoxy-6-methyl-N-(2-methyl-2-methylsulfonylpropyl)pyrimidin-2-amine has a molecular weight of 287.39 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-6-methyl-N-(2-methyl-2-methylsulfonylpropyl)pyrimidin-2-amine is sourced from PubChem (CID 112638194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).