2-(2-ethylphenoxy)-6-methylpyrimidine-4-carbothioamide

C14H15N3OS — CID 107548555

IUPAC2-(2-ethylphenoxy)-6-methylpyrimidine-4-carbothioamide
SMILESCCc1ccccc1Oc1nc(C)cc(C(N)=S)n1
InChIInChI=1S/C14H15N3OS/c1-3-10-6-4-5-7-12(10)18-14-16-9(2)8-11(17-14)13(15)19/h4-8H,3H2,1-2H3,(H2,15,19)
InChIKeyPONXJACFVDMXNH-UHFFFAOYSA-N
MW273.36 g/mol
LogP2.77
Rot. Bonds4

About 2-(2-ethylphenoxy)-6-methylpyrimidine-4-carbothioamide

2-(2-ethylphenoxy)-6-methylpyrimidine-4-carbothioamide (PubChem CID 107548555) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is 2-(2-ethylphenoxy)-6-methylpyrimidine-4-carbothioamide.

Molecular Properties

Compound Name2-(2-ethylphenoxy)-6-methylpyrimidine-4-carbothioamide
PubChem CID107548555
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC Name2-(2-ethylphenoxy)-6-methylpyrimidine-4-carbothioamide
SMILESCCc1ccccc1Oc1nc(C)cc(C(N)=S)n1
InChIInChI=1S/C14H15N3OS/c1-3-10-6-4-5-7-12(10)18-14-16-9(2)8-11(17-14)13(15)19/h4-8H,3H2,1-2H3,(H2,15,19)
InChIKeyPONXJACFVDMXNH-UHFFFAOYSA-N
XLogP2.77
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 2-(2-ethylphenoxy)-6-methylpyrimidine-4-carbothioamide 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-(5-fluoro-2-methylphenoxy)-6-methylpyrimidine-4-carbothioamide
CID 107548744
2-[(2-ethylphenyl)methylamino]-6-methylpyrimidine-4-carbothioamide
CID 107547600
2-(2,5-dimethylpyrazol-3-yl)oxy-6-methylpyrimidine-4-carbothioamide
CID 107548691
2-(4,6-dimethylpyrimidin-2-yl)oxyphenol
CID 60868956
2-[2-(hydroxymethyl)phenoxy]pyrimidine-4-carbothioamide
CID 107548640
N'-hydroxy-2-(2-methoxyphenoxy)-6-methylpyrimidine-4-carboximidamide
CID 136907097
6-methyl-2-(4-methylpentan-2-yloxy)pyrimidine-4-carbothioamide
CID 107548389
2-[2-(2-ethylphenoxy)ethyl]-1,3-thiazole-4-carbothioamide
CID 82516473
2-(2-ethoxyanilino)-6-methylpyrimidine-4-carbothioamide
CID 107546227
6-methyl-2-[2-[(E)-prop-1-enyl]phenoxy]pyrimidine-4-carboxylic acid
CID 107554634
2-(4-bromo-3-fluorophenoxy)-6-methylpyrimidine-4-carbothioamide
CID 107548668
6-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrimidine-4-carbothioamide
CID 107548608

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylphenoxy)-6-methylpyrimidine-4-carbothioamide?
The IUPAC name of 2-(2-ethylphenoxy)-6-methylpyrimidine-4-carbothioamide (CID 107548555) is 2-(2-ethylphenoxy)-6-methylpyrimidine-4-carbothioamide.
What is the SMILES notation for 2-(2-ethylphenoxy)-6-methylpyrimidine-4-carbothioamide?
The canonical SMILES for 2-(2-ethylphenoxy)-6-methylpyrimidine-4-carbothioamide is CCc1ccccc1Oc1nc(C)cc(C(N)=S)n1.
What is the InChIKey of 2-(2-ethylphenoxy)-6-methylpyrimidine-4-carbothioamide?
The InChIKey is PONXJACFVDMXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS/c1-3-10-6-4-5-7-12(10)18-14-16-9(2)8-11(17-14)13(15)19/h4-8H,3H2,1-2H3,(H2,15,19).
What are the key properties of 2-(2-ethylphenoxy)-6-methylpyrimidine-4-carbothioamide?
2-(2-ethylphenoxy)-6-methylpyrimidine-4-carbothioamide has a molecular weight of 273.36 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylphenoxy)-6-methylpyrimidine-4-carbothioamide is sourced from PubChem (CID 107548555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).