6-methyl-2-(methylamino)pyrimidine-4-carbothioamide

C7H10N4S — CID 107546167

IUPAC6-methyl-2-(methylamino)pyrimidine-4-carbothioamide
SMILESCNc1nc(C)cc(C(N)=S)n1
InChIInChI=1S/C7H10N4S/c1-4-3-5(6(8)12)11-7(9-2)10-4/h3H,1-2H3,(H2,8,12)(H,9,10,11)
InChIKeyILCNPLAMUUDBEK-UHFFFAOYSA-N
MW182.25 g/mol
LogP0.46
Rot. Bonds2

About 6-methyl-2-(methylamino)pyrimidine-4-carbothioamide

6-methyl-2-(methylamino)pyrimidine-4-carbothioamide (PubChem CID 107546167) has the molecular formula C7H10N4S and a molecular weight of 182.25 g/mol. Its IUPAC name is 6-methyl-2-(methylamino)pyrimidine-4-carbothioamide.

Molecular Properties

Compound Name6-methyl-2-(methylamino)pyrimidine-4-carbothioamide
PubChem CID107546167
Molecular FormulaC7H10N4S
Molecular Weight182.25 g/mol
Exact Mass182.06
IUPAC Name6-methyl-2-(methylamino)pyrimidine-4-carbothioamide
SMILESCNc1nc(C)cc(C(N)=S)n1
InChIInChI=1S/C7H10N4S/c1-4-3-5(6(8)12)11-7(9-2)10-4/h3H,1-2H3,(H2,8,12)(H,9,10,11)
InChIKeyILCNPLAMUUDBEK-UHFFFAOYSA-N
XLogP0.46
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.25
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclopropylamino)-6-methylpyrimidine-4-carbothioamide
CID 107546159
6-methyl-2-(2,4,6-trimethylanilino)pyrimidine-4-carbothioamide
CID 107546191
6-methyl-2-[(1-methylcyclopropyl)amino]pyrimidine-4-carbothioamide
CID 107548077
2-(2,3-dimethylbutylamino)-6-methylpyrimidine-4-carbothioamide
CID 107547586
3-[(4-carbamothioyl-6-methylpyrimidin-2-yl)amino]propanamide
CID 107546644
6-methyl-2-[(2-methylcyclopropyl)methylamino]pyrimidine-4-carbothioamide
CID 107548041
2-(cyclopentylmethylamino)-6-methylpyrimidine-4-carbothioamide
CID 107546594
2-(2,6-dichloro-4-fluoroanilino)-6-methylpyrimidine-4-carbothioamide
CID 107547910
6-methyl-2-[3-(trifluoromethyl)anilino]pyrimidine-4-carbothioamide
CID 107546239
2-(2-chloro-4-methylanilino)-6-methylpyrimidine-4-carbothioamide
CID 107546515
2-[1-(4-bromophenyl)ethylamino]-6-methylpyrimidine-4-carbothioamide
CID 107546937
2-(2,2-dicyclopropylethylamino)-6-methylpyrimidine-4-carbothioamide
CID 107547653

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(methylamino)pyrimidine-4-carbothioamide?
The IUPAC name of 6-methyl-2-(methylamino)pyrimidine-4-carbothioamide (CID 107546167) is 6-methyl-2-(methylamino)pyrimidine-4-carbothioamide.
What is the SMILES notation for 6-methyl-2-(methylamino)pyrimidine-4-carbothioamide?
The canonical SMILES for 6-methyl-2-(methylamino)pyrimidine-4-carbothioamide is CNc1nc(C)cc(C(N)=S)n1.
What is the InChIKey of 6-methyl-2-(methylamino)pyrimidine-4-carbothioamide?
The InChIKey is ILCNPLAMUUDBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4S/c1-4-3-5(6(8)12)11-7(9-2)10-4/h3H,1-2H3,(H2,8,12)(H,9,10,11).
What are the key properties of 6-methyl-2-(methylamino)pyrimidine-4-carbothioamide?
6-methyl-2-(methylamino)pyrimidine-4-carbothioamide has a molecular weight of 182.25 g/mol, XLogP of 0.46, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(methylamino)pyrimidine-4-carbothioamide is sourced from PubChem (CID 107546167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).