methyl 4-methyl-6-[(2-methyl-2-methylsulfanylpropyl)amino]pyrimidine-2-carboxylate

C12H19N3O2S — CID 113479026

IUPACmethyl 4-methyl-6-[(2-methyl-2-methylsulfanylpropyl)amino]pyrimidine-2-carboxylate
SMILESCOC(=O)c1nc(C)cc(NCC(C)(C)SC)n1
InChIInChI=1S/C12H19N3O2S/c1-8-6-9(13-7-12(2,3)18-5)15-10(14-8)11(16)17-4/h6H,7H2,1-5H3,(H,13,14,15)
InChIKeyIDWBLSUWYVQTPR-UHFFFAOYSA-N
MW269.37 g/mol
LogP2.13
Rot. Bonds5

About methyl 4-methyl-6-[(2-methyl-2-methylsulfanylpropyl)amino]pyrimidine-2-carboxylate

methyl 4-methyl-6-[(2-methyl-2-methylsulfanylpropyl)amino]pyrimidine-2-carboxylate (PubChem CID 113479026) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is methyl 4-methyl-6-[(2-methyl-2-methylsulfanylpropyl)amino]pyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-6-[(2-methyl-2-methylsulfanylpropyl)amino]pyrimidine-2-carboxylate
PubChem CID113479026
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Namemethyl 4-methyl-6-[(2-methyl-2-methylsulfanylpropyl)amino]pyrimidine-2-carboxylate
SMILESCOC(=O)c1nc(C)cc(NCC(C)(C)SC)n1
InChIInChI=1S/C12H19N3O2S/c1-8-6-9(13-7-12(2,3)18-5)15-10(14-8)11(16)17-4/h6H,7H2,1-5H3,(H,13,14,15)
InChIKeyIDWBLSUWYVQTPR-UHFFFAOYSA-N
XLogP2.13
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-6-[(2-methyl-2-methylsulfanylpropyl)amino]pyrimidine-2-carboxylate?
The IUPAC name of methyl 4-methyl-6-[(2-methyl-2-methylsulfanylpropyl)amino]pyrimidine-2-carboxylate (CID 113479026) is methyl 4-methyl-6-[(2-methyl-2-methylsulfanylpropyl)amino]pyrimidine-2-carboxylate.
What is the SMILES notation for methyl 4-methyl-6-[(2-methyl-2-methylsulfanylpropyl)amino]pyrimidine-2-carboxylate?
The canonical SMILES for methyl 4-methyl-6-[(2-methyl-2-methylsulfanylpropyl)amino]pyrimidine-2-carboxylate is COC(=O)c1nc(C)cc(NCC(C)(C)SC)n1.
What is the InChIKey of methyl 4-methyl-6-[(2-methyl-2-methylsulfanylpropyl)amino]pyrimidine-2-carboxylate?
The InChIKey is IDWBLSUWYVQTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-8-6-9(13-7-12(2,3)18-5)15-10(14-8)11(16)17-4/h6H,7H2,1-5H3,(H,13,14,15).
What are the key properties of methyl 4-methyl-6-[(2-methyl-2-methylsulfanylpropyl)amino]pyrimidine-2-carboxylate?
methyl 4-methyl-6-[(2-methyl-2-methylsulfanylpropyl)amino]pyrimidine-2-carboxylate has a molecular weight of 269.37 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-6-[(2-methyl-2-methylsulfanylpropyl)amino]pyrimidine-2-carboxylate is sourced from PubChem (CID 113479026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).