6-methyl-2-[(6-methyl-3-pyridinyl)methylamino]pyrimidine-4-carbothioamide

C13H15N5S — CID 107547389

IUPAC6-methyl-2-[(6-methyl-3-pyridinyl)methylamino]pyrimidine-4-carbothioamide
SMILESCc1ccc(CNc2nc(C)cc(C(N)=S)n2)cn1
InChIInChI=1S/C13H15N5S/c1-8-3-4-10(6-15-8)7-16-13-17-9(2)5-11(18-13)12(14)19/h3-6H,7H2,1-2H3,(H2,14,19)(H,16,17,18)
InChIKeyBGEJCQCPJFYMNW-UHFFFAOYSA-N
MW273.37 g/mol
LogP1.73
Rot. Bonds4

About 6-methyl-2-[(6-methyl-3-pyridinyl)methylamino]pyrimidine-4-carbothioamide

6-methyl-2-[(6-methyl-3-pyridinyl)methylamino]pyrimidine-4-carbothioamide (PubChem CID 107547389) has the molecular formula C13H15N5S and a molecular weight of 273.37 g/mol. Its IUPAC name is 6-methyl-2-[(6-methyl-3-pyridinyl)methylamino]pyrimidine-4-carbothioamide.

Molecular Properties

Compound Name6-methyl-2-[(6-methyl-3-pyridinyl)methylamino]pyrimidine-4-carbothioamide
PubChem CID107547389
Molecular FormulaC13H15N5S
Molecular Weight273.37 g/mol
Exact Mass273.10
IUPAC Name6-methyl-2-[(6-methyl-3-pyridinyl)methylamino]pyrimidine-4-carbothioamide
SMILESCc1ccc(CNc2nc(C)cc(C(N)=S)n2)cn1
InChIInChI=1S/C13H15N5S/c1-8-3-4-10(6-15-8)7-16-13-17-9(2)5-11(18-13)12(14)19/h3-6H,7H2,1-2H3,(H2,14,19)(H,16,17,18)
InChIKeyBGEJCQCPJFYMNW-UHFFFAOYSA-N
XLogP1.73
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-methyl-2-[(6-methyl-3-pyridinyl)methylamino]pyrimidine-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-methyl-2-[(6-methyl-3-pyridinyl)methylamino]pyrimidine-4-carbothioamide?
The IUPAC name of 6-methyl-2-[(6-methyl-3-pyridinyl)methylamino]pyrimidine-4-carbothioamide (CID 107547389) is 6-methyl-2-[(6-methyl-3-pyridinyl)methylamino]pyrimidine-4-carbothioamide.
What is the SMILES notation for 6-methyl-2-[(6-methyl-3-pyridinyl)methylamino]pyrimidine-4-carbothioamide?
The canonical SMILES for 6-methyl-2-[(6-methyl-3-pyridinyl)methylamino]pyrimidine-4-carbothioamide is Cc1ccc(CNc2nc(C)cc(C(N)=S)n2)cn1.
What is the InChIKey of 6-methyl-2-[(6-methyl-3-pyridinyl)methylamino]pyrimidine-4-carbothioamide?
The InChIKey is BGEJCQCPJFYMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5S/c1-8-3-4-10(6-15-8)7-16-13-17-9(2)5-11(18-13)12(14)19/h3-6H,7H2,1-2H3,(H2,14,19)(H,16,17,18).
What are the key properties of 6-methyl-2-[(6-methyl-3-pyridinyl)methylamino]pyrimidine-4-carbothioamide?
6-methyl-2-[(6-methyl-3-pyridinyl)methylamino]pyrimidine-4-carbothioamide has a molecular weight of 273.37 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[(6-methyl-3-pyridinyl)methylamino]pyrimidine-4-carbothioamide is sourced from PubChem (CID 107547389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).