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

C12H20N4O2S — CID 51494950

IUPAC5-[[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]methyl]-N,N-dimethylpyrimidin-2-amine
SMILESCN(C)c1ncc(CN(C)[C@@H]2CCS(=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/t11-/m1/s1
InChIKeyVPCNQKDBRZCPHG-LLVKDONJSA-N
MW284.38 g/mol
LogP0.16
Rot. Bonds4

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

5-[[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]methyl]-N,N-dimethylpyrimidin-2-amine (PubChem CID 51494950) has the molecular formula C12H20N4O2S and a molecular weight of 284.38 g/mol. Its IUPAC name is 5-[[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]methyl]-N,N-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name5-[[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]methyl]-N,N-dimethylpyrimidin-2-amine
PubChem CID51494950
Molecular FormulaC12H20N4O2S
Molecular Weight284.38 g/mol
Exact Mass284.13
IUPAC Name5-[[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]methyl]-N,N-dimethylpyrimidin-2-amine
SMILESCN(C)c1ncc(CN(C)[C@@H]2CCS(=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/t11-/m1/s1
InChIKeyVPCNQKDBRZCPHG-LLVKDONJSA-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

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Frequently Asked Questions

What is the IUPAC name of 5-[[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]methyl]-N,N-dimethylpyrimidin-2-amine?
The IUPAC name of 5-[[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]methyl]-N,N-dimethylpyrimidin-2-amine (CID 51494950) is 5-[[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]methyl]-N,N-dimethylpyrimidin-2-amine.
What is the SMILES notation for 5-[[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]methyl]-N,N-dimethylpyrimidin-2-amine?
The canonical SMILES for 5-[[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]methyl]-N,N-dimethylpyrimidin-2-amine is CN(C)c1ncc(CN(C)[C@@H]2CCS(=O)(=O)C2)cn1.
What is the InChIKey of 5-[[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]methyl]-N,N-dimethylpyrimidin-2-amine?
The InChIKey is VPCNQKDBRZCPHG-LLVKDONJSA-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/t11-/m1/s1.
What are the key properties of 5-[[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]methyl]-N,N-dimethylpyrimidin-2-amine?
5-[[[(3R)-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-[[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]methyl]-N,N-dimethylpyrimidin-2-amine is sourced from PubChem (CID 51494950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).