6-methyl-2-[methyl(2-methylsulfanylethyl)amino]pyrimidine-4-carbothioamide

C10H16N4S2 — CID 107547935

IUPAC6-methyl-2-[methyl(2-methylsulfanylethyl)amino]pyrimidine-4-carbothioamide
SMILESCSCCN(C)c1nc(C)cc(C(N)=S)n1
InChIInChI=1S/C10H16N4S2/c1-7-6-8(9(11)15)13-10(12-7)14(2)4-5-16-3/h6H,4-5H2,1-3H3,(H2,11,15)
InChIKeyPQRRJTYYLYZZAU-UHFFFAOYSA-N
MW256.40 g/mol
LogP1.22
Rot. Bonds5

About 6-methyl-2-[methyl(2-methylsulfanylethyl)amino]pyrimidine-4-carbothioamide

6-methyl-2-[methyl(2-methylsulfanylethyl)amino]pyrimidine-4-carbothioamide (PubChem CID 107547935) has the molecular formula C10H16N4S2 and a molecular weight of 256.40 g/mol. Its IUPAC name is 6-methyl-2-[methyl(2-methylsulfanylethyl)amino]pyrimidine-4-carbothioamide.

Molecular Properties

Compound Name6-methyl-2-[methyl(2-methylsulfanylethyl)amino]pyrimidine-4-carbothioamide
PubChem CID107547935
Molecular FormulaC10H16N4S2
Molecular Weight256.40 g/mol
Exact Mass256.08
IUPAC Name6-methyl-2-[methyl(2-methylsulfanylethyl)amino]pyrimidine-4-carbothioamide
SMILESCSCCN(C)c1nc(C)cc(C(N)=S)n1
InChIInChI=1S/C10H16N4S2/c1-7-6-8(9(11)15)13-10(12-7)14(2)4-5-16-3/h6H,4-5H2,1-3H3,(H2,11,15)
InChIKeyPQRRJTYYLYZZAU-UHFFFAOYSA-N
XLogP1.22
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.40
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-carbamothioyl-6-methylpyrimidin-2-yl)-methylamino]-N-methylpropanamide
CID 107548252
ethyl 2-[(4-carbamothioyl-6-methylpyrimidin-2-yl)-methylamino]acetate
CID 107546994
6-methyl-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]pyrimidine-4-carbothioamide
CID 107546796
2-[(3-methoxyphenyl)methyl-methylamino]-6-methylpyrimidine-4-carbothioamide
CID 107546784
2-(3-hydroxy-N-methylanilino)-6-methylpyrimidine-4-carbothioamide
CID 107735458
2-[2-(dimethylamino)ethyl-methylamino]-6-methylpyrimidine-4-carboximidamide
CID 107550514
2-[cyclopropylmethyl(propyl)amino]-6-methylpyrimidine-4-carbothioamide
CID 107546828
2-[(4-ethylcyclohexyl)-methylamino]-6-methylpyrimidine-4-carbothioamide
CID 107546845
2-[(4-carbamothioyl-6-methylpyrimidin-2-yl)-propan-2-ylamino]acetamide
CID 107547034
2-[(1,1-dioxothiolan-3-yl)-methylamino]-6-methylpyrimidine-4-carbothioamide
CID 107546694
N'-hydroxy-2-[2-methoxyethyl(methyl)amino]-6-methylpyrimidine-4-carboximidamide
CID 136986713
2-(N-ethyl-3-fluoroanilino)-6-methylpyrimidine-4-carbothioamide
CID 107547162

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[methyl(2-methylsulfanylethyl)amino]pyrimidine-4-carbothioamide?
The IUPAC name of 6-methyl-2-[methyl(2-methylsulfanylethyl)amino]pyrimidine-4-carbothioamide (CID 107547935) is 6-methyl-2-[methyl(2-methylsulfanylethyl)amino]pyrimidine-4-carbothioamide.
What is the SMILES notation for 6-methyl-2-[methyl(2-methylsulfanylethyl)amino]pyrimidine-4-carbothioamide?
The canonical SMILES for 6-methyl-2-[methyl(2-methylsulfanylethyl)amino]pyrimidine-4-carbothioamide is CSCCN(C)c1nc(C)cc(C(N)=S)n1.
What is the InChIKey of 6-methyl-2-[methyl(2-methylsulfanylethyl)amino]pyrimidine-4-carbothioamide?
The InChIKey is PQRRJTYYLYZZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4S2/c1-7-6-8(9(11)15)13-10(12-7)14(2)4-5-16-3/h6H,4-5H2,1-3H3,(H2,11,15).
What are the key properties of 6-methyl-2-[methyl(2-methylsulfanylethyl)amino]pyrimidine-4-carbothioamide?
6-methyl-2-[methyl(2-methylsulfanylethyl)amino]pyrimidine-4-carbothioamide has a molecular weight of 256.40 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[methyl(2-methylsulfanylethyl)amino]pyrimidine-4-carbothioamide is sourced from PubChem (CID 107547935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).