N-(1,1-dioxothian-4-yl)-4,6-dimethoxypyrimidin-2-amine

C11H17N3O4S — CID 115354965

IUPACN-(1,1-dioxothian-4-yl)-4,6-dimethoxypyrimidin-2-amine
SMILESCOc1cc(OC)nc(NC2CCS(=O)(=O)CC2)n1
InChIInChI=1S/C11H17N3O4S/c1-17-9-7-10(18-2)14-11(13-9)12-8-3-5-19(15,16)6-4-8/h7-8H,3-6H2,1-2H3,(H,12,13,14)
InChIKeyOELJOHRGDBXYOM-UHFFFAOYSA-N
MW287.34 g/mol
LogP0.48
Rot. Bonds4

About N-(1,1-dioxothian-4-yl)-4,6-dimethoxypyrimidin-2-amine

N-(1,1-dioxothian-4-yl)-4,6-dimethoxypyrimidin-2-amine (PubChem CID 115354965) has the molecular formula C11H17N3O4S and a molecular weight of 287.34 g/mol. Its IUPAC name is N-(1,1-dioxothian-4-yl)-4,6-dimethoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-(1,1-dioxothian-4-yl)-4,6-dimethoxypyrimidin-2-amine
PubChem CID115354965
Molecular FormulaC11H17N3O4S
Molecular Weight287.34 g/mol
Exact Mass287.09
IUPAC NameN-(1,1-dioxothian-4-yl)-4,6-dimethoxypyrimidin-2-amine
SMILESCOc1cc(OC)nc(NC2CCS(=O)(=O)CC2)n1
InChIInChI=1S/C11H17N3O4S/c1-17-9-7-10(18-2)14-11(13-9)12-8-3-5-19(15,16)6-4-8/h7-8H,3-6H2,1-2H3,(H,12,13,14)
InChIKeyOELJOHRGDBXYOM-UHFFFAOYSA-N
XLogP0.48
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1,1-dioxothian-4-yl)-4-methoxy-6-(trifluoromethyl)pyrimidin-2-amine
CID 154783261
N-cyclooctyl-4,6-dimethoxypyrimidin-2-amine
CID 115354929
N-(1,1-dioxothian-4-yl)-4,6-dimethylpyrimidin-2-amine
CID 43615421
2-N-(1,1-dioxothian-4-yl)-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80789130
1-N-(4,6-dimethoxypyrimidin-2-yl)cycloheptane-1,2-diamine
CID 115355322
4-chloro-N-(1,1-dioxothian-4-yl)-6-ethoxy-1,3,5-triazin-2-amine
CID 62857056
4-chloro-N-(1,1-dioxothian-4-yl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 62865280
6-chloro-4-N-(1,1-dioxothian-4-yl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 62862839
4-methoxy-6-methyl-N-(3-methylcyclobutyl)pyrimidin-2-amine
CID 115671869
N-(3,5-difluorophenyl)-1,1-dioxothian-4-amine
CID 43511555
N-(2-bicyclo[2.2.1]heptanyl)-4,6-dimethoxypyrimidin-2-amine
CID 115355152
1-N-(4-methoxy-6-methylpyrimidin-2-yl)cyclobutane-1,3-diamine
CID 112634754

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothian-4-yl)-4,6-dimethoxypyrimidin-2-amine?
The IUPAC name of N-(1,1-dioxothian-4-yl)-4,6-dimethoxypyrimidin-2-amine (CID 115354965) is N-(1,1-dioxothian-4-yl)-4,6-dimethoxypyrimidin-2-amine.
What is the SMILES notation for N-(1,1-dioxothian-4-yl)-4,6-dimethoxypyrimidin-2-amine?
The canonical SMILES for N-(1,1-dioxothian-4-yl)-4,6-dimethoxypyrimidin-2-amine is COc1cc(OC)nc(NC2CCS(=O)(=O)CC2)n1.
What is the InChIKey of N-(1,1-dioxothian-4-yl)-4,6-dimethoxypyrimidin-2-amine?
The InChIKey is OELJOHRGDBXYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4S/c1-17-9-7-10(18-2)14-11(13-9)12-8-3-5-19(15,16)6-4-8/h7-8H,3-6H2,1-2H3,(H,12,13,14).
What are the key properties of N-(1,1-dioxothian-4-yl)-4,6-dimethoxypyrimidin-2-amine?
N-(1,1-dioxothian-4-yl)-4,6-dimethoxypyrimidin-2-amine has a molecular weight of 287.34 g/mol, XLogP of 0.48, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothian-4-yl)-4,6-dimethoxypyrimidin-2-amine is sourced from PubChem (CID 115354965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).