5-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-N,N-dimethylpyrimidin-2-amine

C12H20N4O2S — CID 46960635

IUPAC5-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-N,N-dimethylpyrimidin-2-amine
SMILESCN(C)c1ncc(CN(C)C2CCS(=O)(=O)C2)cn1
InChIInChI=1S/C12H20N4O2S/c1-15(2)12-13-6-10(7-14-12)8-16(3)11-4-5-19(17,18)9-11/h6-7,11H,4-5,8-9H2,1-3H3
InChIKeyVPCNQKDBRZCPHG-UHFFFAOYSA-N
MW284.38 g/mol
LogP0.16
Rot. Bonds4

About 5-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-N,N-dimethylpyrimidin-2-amine

5-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-N,N-dimethylpyrimidin-2-amine (PubChem CID 46960635) has the molecular formula C12H20N4O2S and a molecular weight of 284.38 g/mol. Its IUPAC name is 5-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-N,N-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name5-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-N,N-dimethylpyrimidin-2-amine
PubChem CID46960635
Molecular FormulaC12H20N4O2S
Molecular Weight284.38 g/mol
Exact Mass284.13
IUPAC Name5-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-N,N-dimethylpyrimidin-2-amine
SMILESCN(C)c1ncc(CN(C)C2CCS(=O)(=O)C2)cn1
InChIInChI=1S/C12H20N4O2S/c1-15(2)12-13-6-10(7-14-12)8-16(3)11-4-5-19(17,18)9-11/h6-7,11H,4-5,8-9H2,1-3H3
InChIKeyVPCNQKDBRZCPHG-UHFFFAOYSA-N
XLogP0.16
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-N,N-dimethylpyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-N,N-dimethylpyrimidin-2-amine?
The IUPAC name of 5-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-N,N-dimethylpyrimidin-2-amine (CID 46960635) is 5-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-N,N-dimethylpyrimidin-2-amine.
What is the SMILES notation for 5-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-N,N-dimethylpyrimidin-2-amine?
The canonical SMILES for 5-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-N,N-dimethylpyrimidin-2-amine is CN(C)c1ncc(CN(C)C2CCS(=O)(=O)C2)cn1.
What is the InChIKey of 5-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-N,N-dimethylpyrimidin-2-amine?
The InChIKey is VPCNQKDBRZCPHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-15(2)12-13-6-10(7-14-12)8-16(3)11-4-5-19(17,18)9-11/h6-7,11H,4-5,8-9H2,1-3H3.
What are the key properties of 5-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-N,N-dimethylpyrimidin-2-amine?
5-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-N,N-dimethylpyrimidin-2-amine has a molecular weight of 284.38 g/mol, XLogP of 0.16, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-N,N-dimethylpyrimidin-2-amine is sourced from PubChem (CID 46960635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).