[5-methoxy-2-(1-methylsulfinylethyl)pyrimidin-4-yl] N,N-dimethylcarbamate

C11H17N3O4S — CID 13210022

IUPAC[5-methoxy-2-(1-methylsulfinylethyl)pyrimidin-4-yl] N,N-dimethylcarbamate
SMILESCOc1cnc(C(C)S(C)=O)nc1OC(=O)N(C)C
InChIInChI=1S/C11H17N3O4S/c1-7(19(5)16)9-12-6-8(17-4)10(13-9)18-11(15)14(2)3/h6-7H,1-5H3
InChIKeyMJJQICMUQVARPW-UHFFFAOYSA-N
MW287.34 g/mol
LogP0.99
Rot. Bonds4

About [5-methoxy-2-(1-methylsulfinylethyl)pyrimidin-4-yl] N,N-dimethylcarbamate

[5-methoxy-2-(1-methylsulfinylethyl)pyrimidin-4-yl] N,N-dimethylcarbamate (PubChem CID 13210022) has the molecular formula C11H17N3O4S and a molecular weight of 287.34 g/mol. Its IUPAC name is [5-methoxy-2-(1-methylsulfinylethyl)pyrimidin-4-yl] N,N-dimethylcarbamate.

Molecular Properties

Compound Name[5-methoxy-2-(1-methylsulfinylethyl)pyrimidin-4-yl] N,N-dimethylcarbamate
PubChem CID13210022
Molecular FormulaC11H17N3O4S
Molecular Weight287.34 g/mol
Exact Mass287.09
IUPAC Name[5-methoxy-2-(1-methylsulfinylethyl)pyrimidin-4-yl] N,N-dimethylcarbamate
SMILESCOc1cnc(C(C)S(C)=O)nc1OC(=O)N(C)C
InChIInChI=1S/C11H17N3O4S/c1-7(19(5)16)9-12-6-8(17-4)10(13-9)18-11(15)14(2)3/h6-7H,1-5H3
InChIKeyMJJQICMUQVARPW-UHFFFAOYSA-N
XLogP0.99
TPSA81.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-methoxy-2-(1-methylsulfinylethyl)pyrimidin-4-yl] N,N-dimethylcarbamate?
The IUPAC name of [5-methoxy-2-(1-methylsulfinylethyl)pyrimidin-4-yl] N,N-dimethylcarbamate (CID 13210022) is [5-methoxy-2-(1-methylsulfinylethyl)pyrimidin-4-yl] N,N-dimethylcarbamate.
What is the SMILES notation for [5-methoxy-2-(1-methylsulfinylethyl)pyrimidin-4-yl] N,N-dimethylcarbamate?
The canonical SMILES for [5-methoxy-2-(1-methylsulfinylethyl)pyrimidin-4-yl] N,N-dimethylcarbamate is COc1cnc(C(C)S(C)=O)nc1OC(=O)N(C)C.
What is the InChIKey of [5-methoxy-2-(1-methylsulfinylethyl)pyrimidin-4-yl] N,N-dimethylcarbamate?
The InChIKey is MJJQICMUQVARPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4S/c1-7(19(5)16)9-12-6-8(17-4)10(13-9)18-11(15)14(2)3/h6-7H,1-5H3.
What are the key properties of [5-methoxy-2-(1-methylsulfinylethyl)pyrimidin-4-yl] N,N-dimethylcarbamate?
[5-methoxy-2-(1-methylsulfinylethyl)pyrimidin-4-yl] N,N-dimethylcarbamate has a molecular weight of 287.34 g/mol, XLogP of 0.99, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methoxy-2-(1-methylsulfinylethyl)pyrimidin-4-yl] N,N-dimethylcarbamate is sourced from PubChem (CID 13210022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).