6-methoxypyrimidine-4-carbothioamide

C6H7N3OS — CID 102949467

IUPAC6-methoxypyrimidine-4-carbothioamide
SMILESCOc1cc(C(N)=S)ncn1
InChIInChI=1S/C6H7N3OS/c1-10-5-2-4(6(7)11)8-3-9-5/h2-3H,1H3,(H2,7,11)
InChIKeyRTUNKAAUPCHGFD-UHFFFAOYSA-N
MW169.21 g/mol
LogP0.12
Rot. Bonds2

About 6-methoxypyrimidine-4-carbothioamide

6-methoxypyrimidine-4-carbothioamide (PubChem CID 102949467) has the molecular formula C6H7N3OS and a molecular weight of 169.21 g/mol. Its IUPAC name is 6-methoxypyrimidine-4-carbothioamide.

Molecular Properties

Compound Name6-methoxypyrimidine-4-carbothioamide
PubChem CID102949467
Molecular FormulaC6H7N3OS
Molecular Weight169.21 g/mol
Exact Mass169.03
IUPAC Name6-methoxypyrimidine-4-carbothioamide
SMILESCOc1cc(C(N)=S)ncn1
InChIInChI=1S/C6H7N3OS/c1-10-5-2-4(6(7)11)8-3-9-5/h2-3H,1H3,(H2,7,11)
InChIKeyRTUNKAAUPCHGFD-UHFFFAOYSA-N
XLogP0.12
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.21
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-methoxypyrimidine-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

Frequently Asked Questions

What is the IUPAC name of 6-methoxypyrimidine-4-carbothioamide?
The IUPAC name of 6-methoxypyrimidine-4-carbothioamide (CID 102949467) is 6-methoxypyrimidine-4-carbothioamide.
What is the SMILES notation for 6-methoxypyrimidine-4-carbothioamide?
The canonical SMILES for 6-methoxypyrimidine-4-carbothioamide is COc1cc(C(N)=S)ncn1.
What is the InChIKey of 6-methoxypyrimidine-4-carbothioamide?
The InChIKey is RTUNKAAUPCHGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3OS/c1-10-5-2-4(6(7)11)8-3-9-5/h2-3H,1H3,(H2,7,11).
What are the key properties of 6-methoxypyrimidine-4-carbothioamide?
6-methoxypyrimidine-4-carbothioamide has a molecular weight of 169.21 g/mol, XLogP of 0.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxypyrimidine-4-carbothioamide is sourced from PubChem (CID 102949467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).