2-(1,1-dioxothiolan-3-yl)-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine

C12H19N3O3S — CID 115337230

IUPAC2-(1,1-dioxothiolan-3-yl)-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine
SMILESCCNc1cc(COC)nc(C2CCS(=O)(=O)C2)n1
InChIInChI=1S/C12H19N3O3S/c1-3-13-11-6-10(7-18-2)14-12(15-11)9-4-5-19(16,17)8-9/h6,9H,3-5,7-8H2,1-2H3,(H,13,14,15)
InChIKeyDFDVEJXGLHMUFK-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.96
Rot. Bonds5

About 2-(1,1-dioxothiolan-3-yl)-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine

2-(1,1-dioxothiolan-3-yl)-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine (PubChem CID 115337230) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-(1,1-dioxothiolan-3-yl)-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(1,1-dioxothiolan-3-yl)-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine
PubChem CID115337230
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name2-(1,1-dioxothiolan-3-yl)-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine
SMILESCCNc1cc(COC)nc(C2CCS(=O)(=O)C2)n1
InChIInChI=1S/C12H19N3O3S/c1-3-13-11-6-10(7-18-2)14-12(15-11)9-4-5-19(16,17)8-9/h6,9H,3-5,7-8H2,1-2H3,(H,13,14,15)
InChIKeyDFDVEJXGLHMUFK-UHFFFAOYSA-N
XLogP0.96
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-cyclopropyl-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine
CID 62320790
2-(1,1-dioxothiolan-3-yl)-N-methyl-6-propylpyrimidin-4-amine
CID 115337211
N-ethyl-6-(methoxymethyl)-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine
CID 115998400
2-cyclopropyl-4-N-(1,1-dioxothian-4-yl)-6-N-ethylpyrimidine-4,6-diamine
CID 80960820
N-ethyl-2-(3-ethyl-1,4-dithian-2-yl)-6-(methoxymethyl)pyrimidin-4-amine
CID 115388534
2-cyclooctyl-N,6-diethylpyrimidin-4-amine
CID 80609911
N-ethyl-6-(methoxymethyl)-2-(4-propan-2-ylmorpholin-2-yl)pyrimidin-4-amine
CID 79662651
2-cyclooctyl-N-ethyl-6-propylpyrimidin-4-amine
CID 80609287
2-(cyclohexylsulfanylmethyl)-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine
CID 65144656
2-(1,1-dioxothiolan-3-yl)-5-iodo-6-(methoxymethyl)pyrimidin-4-amine
CID 113289859
3-(4,6-dichloropyrimidin-2-yl)thiolane 1,1-dioxide
CID 115336168
N-ethyl-6-(methoxymethyl)-2-(2-methylpropyl)pyrimidin-4-amine
CID 62319502

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxothiolan-3-yl)-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine?
The IUPAC name of 2-(1,1-dioxothiolan-3-yl)-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine (CID 115337230) is 2-(1,1-dioxothiolan-3-yl)-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-(1,1-dioxothiolan-3-yl)-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine?
The canonical SMILES for 2-(1,1-dioxothiolan-3-yl)-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine is CCNc1cc(COC)nc(C2CCS(=O)(=O)C2)n1.
What is the InChIKey of 2-(1,1-dioxothiolan-3-yl)-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine?
The InChIKey is DFDVEJXGLHMUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-3-13-11-6-10(7-18-2)14-12(15-11)9-4-5-19(16,17)8-9/h6,9H,3-5,7-8H2,1-2H3,(H,13,14,15).
What are the key properties of 2-(1,1-dioxothiolan-3-yl)-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine?
2-(1,1-dioxothiolan-3-yl)-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine has a molecular weight of 285.37 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxothiolan-3-yl)-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine is sourced from PubChem (CID 115337230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).