6-methyl-2-(2,4,6-trimethylanilino)pyrimidine-4-carbothioamide

C15H18N4S — CID 107546191

IUPAC6-methyl-2-(2,4,6-trimethylanilino)pyrimidine-4-carbothioamide
SMILESCc1cc(C)c(Nc2nc(C)cc(C(N)=S)n2)c(C)c1
InChIInChI=1S/C15H18N4S/c1-8-5-9(2)13(10(3)6-8)19-15-17-11(4)7-12(18-15)14(16)20/h5-7H,1-4H3,(H2,16,20)(H,17,18,19)
InChIKeyIMLJQLLRFIEERS-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.09
Rot. Bonds3

About 6-methyl-2-(2,4,6-trimethylanilino)pyrimidine-4-carbothioamide

6-methyl-2-(2,4,6-trimethylanilino)pyrimidine-4-carbothioamide (PubChem CID 107546191) has the molecular formula C15H18N4S and a molecular weight of 286.40 g/mol. Its IUPAC name is 6-methyl-2-(2,4,6-trimethylanilino)pyrimidine-4-carbothioamide.

Molecular Properties

Compound Name6-methyl-2-(2,4,6-trimethylanilino)pyrimidine-4-carbothioamide
PubChem CID107546191
Molecular FormulaC15H18N4S
Molecular Weight286.40 g/mol
Exact Mass286.13
IUPAC Name6-methyl-2-(2,4,6-trimethylanilino)pyrimidine-4-carbothioamide
SMILESCc1cc(C)c(Nc2nc(C)cc(C(N)=S)n2)c(C)c1
InChIInChI=1S/C15H18N4S/c1-8-5-9(2)13(10(3)6-8)19-15-17-11(4)7-12(18-15)14(16)20/h5-7H,1-4H3,(H2,16,20)(H,17,18,19)
InChIKeyIMLJQLLRFIEERS-UHFFFAOYSA-N
XLogP3.09
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.09
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-(2,6-difluoro-3-methylanilino)-6-methylpyrimidine-4-carbothioamide
CID 107547881
2-(2,6-dichloro-4-fluoroanilino)-6-methylpyrimidine-4-carbothioamide
CID 107547910
6-methyl-2-(methylamino)pyrimidine-4-carbothioamide
CID 107546167
2-(cyclopropylamino)-6-methylpyrimidine-4-carbothioamide
CID 107546159
2-(2-chloro-4-methylanilino)-6-methylpyrimidine-4-carbothioamide
CID 107546515
2-(4-bromo-2-methylanilino)-6-methylpyrimidine-4-carbothioamide
CID 107546249
2-(2-fluoro-5-methylanilino)-6-methylpyrimidine-4-carbothioamide
CID 107546517
6-methyl-N-(4-methylphenyl)-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
CID 109335147
1-[4-[6-methyl-2-(2,4,6-trimethylanilino)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone
CID 109326719
6-methyl-N,N-dipropyl-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
CID 109334224
2-[3-(dimethylamino)-4-methylanilino]-6-methylpyrimidine-4-carbothioamide
CID 107547846
6-methyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidine-4-carbothioamide
CID 107546628

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(2,4,6-trimethylanilino)pyrimidine-4-carbothioamide?
The IUPAC name of 6-methyl-2-(2,4,6-trimethylanilino)pyrimidine-4-carbothioamide (CID 107546191) is 6-methyl-2-(2,4,6-trimethylanilino)pyrimidine-4-carbothioamide.
What is the SMILES notation for 6-methyl-2-(2,4,6-trimethylanilino)pyrimidine-4-carbothioamide?
The canonical SMILES for 6-methyl-2-(2,4,6-trimethylanilino)pyrimidine-4-carbothioamide is Cc1cc(C)c(Nc2nc(C)cc(C(N)=S)n2)c(C)c1.
What is the InChIKey of 6-methyl-2-(2,4,6-trimethylanilino)pyrimidine-4-carbothioamide?
The InChIKey is IMLJQLLRFIEERS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4S/c1-8-5-9(2)13(10(3)6-8)19-15-17-11(4)7-12(18-15)14(16)20/h5-7H,1-4H3,(H2,16,20)(H,17,18,19).
What are the key properties of 6-methyl-2-(2,4,6-trimethylanilino)pyrimidine-4-carbothioamide?
6-methyl-2-(2,4,6-trimethylanilino)pyrimidine-4-carbothioamide has a molecular weight of 286.40 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(2,4,6-trimethylanilino)pyrimidine-4-carbothioamide is sourced from PubChem (CID 107546191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).