N-(2-tert-butylsulfinylethyl)-4-methylpyrimidin-2-amine

C11H19N3OS — CID 133304625

IUPACN-(2-tert-butylsulfinylethyl)-4-methylpyrimidin-2-amine
SMILESCc1ccnc(NCCS(=O)C(C)(C)C)n1
InChIInChI=1S/C11H19N3OS/c1-9-5-6-12-10(14-9)13-7-8-16(15)11(2,3)4/h5-6H,7-8H2,1-4H3,(H,12,13,14)
InChIKeySNNNRUJBNIXGEM-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.74
Rot. Bonds4

About N-(2-tert-butylsulfinylethyl)-4-methylpyrimidin-2-amine

N-(2-tert-butylsulfinylethyl)-4-methylpyrimidin-2-amine (PubChem CID 133304625) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is N-(2-tert-butylsulfinylethyl)-4-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-tert-butylsulfinylethyl)-4-methylpyrimidin-2-amine
PubChem CID133304625
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC NameN-(2-tert-butylsulfinylethyl)-4-methylpyrimidin-2-amine
SMILESCc1ccnc(NCCS(=O)C(C)(C)C)n1
InChIInChI=1S/C11H19N3OS/c1-9-5-6-12-10(14-9)13-7-8-16(15)11(2,3)4/h5-6H,7-8H2,1-4H3,(H,12,13,14)
InChIKeySNNNRUJBNIXGEM-UHFFFAOYSA-N
XLogP1.74
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-tert-butylsulfinylethyl)-4-methylpyrimidin-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

3-methyl-1-N-(4-methylpyrimidin-2-yl)butane-1,3-diamine
CID 117044287
N-(3-fluoropropyl)-4-methylpyrimidin-2-amine
CID 130504329
4-methyl-N-octylpyrimidin-2-amine
CID 115568939
N-(3-fluorobutyl)-4-methylpyrimidin-2-amine
CID 130637741
4-methyl-N-[(E)-pent-3-enyl]pyrimidin-2-amine
CID 115637231
4-methyl-N-pent-3-ynylpyrimidin-2-amine
CID 116644591
2-N-(2-methylsulfinylethyl)pyrimidine-2,4-diamine
CID 116797406
N-(2-methoxy-2-methylpropyl)-4-methylpyrimidin-2-amine
CID 115658471
4-methyl-N-(2-piperazin-1-ylethyl)pyrimidin-2-amine
CID 62958220
N-[2-(4-fluorophenyl)ethyl]-4-methylpyrimidin-2-amine
CID 55152107
2-(2-ethylsulfinylethylamino)pyrimidine-4-carboxylic acid
CID 107554425
4-methyl-N-(3-propoxypropyl)pyrimidin-2-amine
CID 82944082

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylsulfinylethyl)-4-methylpyrimidin-2-amine?
The IUPAC name of N-(2-tert-butylsulfinylethyl)-4-methylpyrimidin-2-amine (CID 133304625) is N-(2-tert-butylsulfinylethyl)-4-methylpyrimidin-2-amine.
What is the SMILES notation for N-(2-tert-butylsulfinylethyl)-4-methylpyrimidin-2-amine?
The canonical SMILES for N-(2-tert-butylsulfinylethyl)-4-methylpyrimidin-2-amine is Cc1ccnc(NCCS(=O)C(C)(C)C)n1.
What is the InChIKey of N-(2-tert-butylsulfinylethyl)-4-methylpyrimidin-2-amine?
The InChIKey is SNNNRUJBNIXGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-9-5-6-12-10(14-9)13-7-8-16(15)11(2,3)4/h5-6H,7-8H2,1-4H3,(H,12,13,14).
What are the key properties of N-(2-tert-butylsulfinylethyl)-4-methylpyrimidin-2-amine?
N-(2-tert-butylsulfinylethyl)-4-methylpyrimidin-2-amine has a molecular weight of 241.36 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylsulfinylethyl)-4-methylpyrimidin-2-amine is sourced from PubChem (CID 133304625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).