N-methyl-4-(4-methylsulfonylphenoxy)pyrimidin-2-amine

C12H13N3O3S — CID 80874009

IUPACN-methyl-4-(4-methylsulfonylphenoxy)pyrimidin-2-amine
SMILESCNc1nccc(Oc2ccc(S(C)(=O)=O)cc2)n1
InChIInChI=1S/C12H13N3O3S/c1-13-12-14-8-7-11(15-12)18-9-3-5-10(6-4-9)19(2,16)17/h3-8H,1-2H3,(H,13,14,15)
InChIKeyUJUUQTJHVFWPRD-UHFFFAOYSA-N
MW279.32 g/mol
LogP1.71
Rot. Bonds4

About N-methyl-4-(4-methylsulfonylphenoxy)pyrimidin-2-amine

N-methyl-4-(4-methylsulfonylphenoxy)pyrimidin-2-amine (PubChem CID 80874009) has the molecular formula C12H13N3O3S and a molecular weight of 279.32 g/mol. Its IUPAC name is N-methyl-4-(4-methylsulfonylphenoxy)pyrimidin-2-amine.

Molecular Properties

Compound NameN-methyl-4-(4-methylsulfonylphenoxy)pyrimidin-2-amine
PubChem CID80874009
Molecular FormulaC12H13N3O3S
Molecular Weight279.32 g/mol
Exact Mass279.07
IUPAC NameN-methyl-4-(4-methylsulfonylphenoxy)pyrimidin-2-amine
SMILESCNc1nccc(Oc2ccc(S(C)(=O)=O)cc2)n1
InChIInChI=1S/C12H13N3O3S/c1-13-12-14-8-7-11(15-12)18-9-3-5-10(6-4-9)19(2,16)17/h3-8H,1-2H3,(H,13,14,15)
InChIKeyUJUUQTJHVFWPRD-UHFFFAOYSA-N
XLogP1.71
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-methyl-4-(4-methylsulfonylphenoxy)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-chloro-4-(4-methylsulfonylphenoxy)pyrimidine
CID 53486073
4-(4-fluorophenoxy)-N-methylpyrimidin-2-amine
CID 80869601
N-methyl-6-(4-methylsulfonylphenoxy)pyrimidin-4-amine
CID 80875896
4-(4-fluorophenoxy)-2-methylsulfonylpyrimidine
CID 141073183
N-methyl-2-methylsulfanyl-6-(4-methylsulfonylphenoxy)pyrimidin-4-amine
CID 80875303
2-methylsulfonyl-4-phenoxypyrimidine
CID 15405455
4-(2-methoxyphenoxy)-N-methylpyrimidin-2-amine
CID 80869209
2-methyl-1-[2-(4-methylsulfonylphenoxy)-4-pyridinyl]propan-1-one
CID 71021136
[4-(4-nitrophenoxy)pyrimidin-2-yl]hydrazine
CID 80920432
2-methyl-6-(4-methylsulfonylphenoxy)pyridine-3-carbonitrile
CID 53416000
4-(4-fluorophenoxy)-N-[4-(2-methylsulfonylethyl)phenyl]pyrimidin-2-amine
CID 133398012
methyl 6-(4-methylsulfonylphenoxy)pyrazine-2-carboxylate
CID 66458474

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(4-methylsulfonylphenoxy)pyrimidin-2-amine?
The IUPAC name of N-methyl-4-(4-methylsulfonylphenoxy)pyrimidin-2-amine (CID 80874009) is N-methyl-4-(4-methylsulfonylphenoxy)pyrimidin-2-amine.
What is the SMILES notation for N-methyl-4-(4-methylsulfonylphenoxy)pyrimidin-2-amine?
The canonical SMILES for N-methyl-4-(4-methylsulfonylphenoxy)pyrimidin-2-amine is CNc1nccc(Oc2ccc(S(C)(=O)=O)cc2)n1.
What is the InChIKey of N-methyl-4-(4-methylsulfonylphenoxy)pyrimidin-2-amine?
The InChIKey is UJUUQTJHVFWPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3S/c1-13-12-14-8-7-11(15-12)18-9-3-5-10(6-4-9)19(2,16)17/h3-8H,1-2H3,(H,13,14,15).
What are the key properties of N-methyl-4-(4-methylsulfonylphenoxy)pyrimidin-2-amine?
N-methyl-4-(4-methylsulfonylphenoxy)pyrimidin-2-amine has a molecular weight of 279.32 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(4-methylsulfonylphenoxy)pyrimidin-2-amine is sourced from PubChem (CID 80874009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).