1,3-dimethyl-6-[[(2-methyl-3-methylsulfanylpropyl)amino]methyl]pyrimidine-2,4-dione

C12H21N3O2S — CID 63964504

IUPAC1,3-dimethyl-6-[[(2-methyl-3-methylsulfanylpropyl)amino]methyl]pyrimidine-2,4-dione
SMILESCSCC(C)CNCc1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C12H21N3O2S/c1-9(8-18-4)6-13-7-10-5-11(16)15(3)12(17)14(10)2/h5,9,13H,6-8H2,1-4H3
InChIKeyPJMBVMSDAKRTJB-UHFFFAOYSA-N
MW271.39 g/mol
LogP0.17
Rot. Bonds6

About 1,3-dimethyl-6-[[(2-methyl-3-methylsulfanylpropyl)amino]methyl]pyrimidine-2,4-dione

1,3-dimethyl-6-[[(2-methyl-3-methylsulfanylpropyl)amino]methyl]pyrimidine-2,4-dione (PubChem CID 63964504) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is 1,3-dimethyl-6-[[(2-methyl-3-methylsulfanylpropyl)amino]methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-6-[[(2-methyl-3-methylsulfanylpropyl)amino]methyl]pyrimidine-2,4-dione
PubChem CID63964504
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Name1,3-dimethyl-6-[[(2-methyl-3-methylsulfanylpropyl)amino]methyl]pyrimidine-2,4-dione
SMILESCSCC(C)CNCc1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C12H21N3O2S/c1-9(8-18-4)6-13-7-10-5-11(16)15(3)12(17)14(10)2/h5,9,13H,6-8H2,1-4H3
InChIKeyPJMBVMSDAKRTJB-UHFFFAOYSA-N
XLogP0.17
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-[[(2-methyl-3-methylsulfanylpropyl)amino]methyl]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-6-[[(2-methyl-3-methylsulfanylpropyl)amino]methyl]pyrimidine-2,4-dione (CID 63964504) is 1,3-dimethyl-6-[[(2-methyl-3-methylsulfanylpropyl)amino]methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-6-[[(2-methyl-3-methylsulfanylpropyl)amino]methyl]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-6-[[(2-methyl-3-methylsulfanylpropyl)amino]methyl]pyrimidine-2,4-dione is CSCC(C)CNCc1cc(=O)n(C)c(=O)n1C.
What is the InChIKey of 1,3-dimethyl-6-[[(2-methyl-3-methylsulfanylpropyl)amino]methyl]pyrimidine-2,4-dione?
The InChIKey is PJMBVMSDAKRTJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-9(8-18-4)6-13-7-10-5-11(16)15(3)12(17)14(10)2/h5,9,13H,6-8H2,1-4H3.
What are the key properties of 1,3-dimethyl-6-[[(2-methyl-3-methylsulfanylpropyl)amino]methyl]pyrimidine-2,4-dione?
1,3-dimethyl-6-[[(2-methyl-3-methylsulfanylpropyl)amino]methyl]pyrimidine-2,4-dione has a molecular weight of 271.39 g/mol, XLogP of 0.17, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-[[(2-methyl-3-methylsulfanylpropyl)amino]methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 63964504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).