6-methyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidine-4-carbothioamide

C10H12N6S — CID 107546628

IUPAC6-methyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidine-4-carbothioamide
SMILESCc1cc(C(N)=S)nc(Nc2cnn(C)c2)n1
InChIInChI=1S/C10H12N6S/c1-6-3-8(9(11)17)15-10(13-6)14-7-4-12-16(2)5-7/h3-5H,1-2H3,(H2,11,17)(H,13,14,15)
InChIKeySTVYAVVVCOIOML-UHFFFAOYSA-N
MW248.32 g/mol
LogP0.90
Rot. Bonds3

About 6-methyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidine-4-carbothioamide

6-methyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidine-4-carbothioamide (PubChem CID 107546628) has the molecular formula C10H12N6S and a molecular weight of 248.32 g/mol. Its IUPAC name is 6-methyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidine-4-carbothioamide.

Molecular Properties

Compound Name6-methyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidine-4-carbothioamide
PubChem CID107546628
Molecular FormulaC10H12N6S
Molecular Weight248.32 g/mol
Exact Mass248.08
IUPAC Name6-methyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidine-4-carbothioamide
SMILESCc1cc(C(N)=S)nc(Nc2cnn(C)c2)n1
InChIInChI=1S/C10H12N6S/c1-6-3-8(9(11)17)15-10(13-6)14-7-4-12-16(2)5-7/h3-5H,1-2H3,(H2,11,17)(H,13,14,15)
InChIKeySTVYAVVVCOIOML-UHFFFAOYSA-N
XLogP0.90
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidine-4-carbothioamide?
The IUPAC name of 6-methyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidine-4-carbothioamide (CID 107546628) is 6-methyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidine-4-carbothioamide.
What is the SMILES notation for 6-methyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidine-4-carbothioamide?
The canonical SMILES for 6-methyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidine-4-carbothioamide is Cc1cc(C(N)=S)nc(Nc2cnn(C)c2)n1.
What is the InChIKey of 6-methyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidine-4-carbothioamide?
The InChIKey is STVYAVVVCOIOML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6S/c1-6-3-8(9(11)17)15-10(13-6)14-7-4-12-16(2)5-7/h3-5H,1-2H3,(H2,11,17)(H,13,14,15).
What are the key properties of 6-methyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidine-4-carbothioamide?
6-methyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidine-4-carbothioamide has a molecular weight of 248.32 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidine-4-carbothioamide is sourced from PubChem (CID 107546628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).