4-N-(1,1-dioxothiolan-3-yl)-2-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine

C11H15F3N4O2S — CID 114564216

IUPAC4-N-(1,1-dioxothiolan-3-yl)-2-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCNc1nc(N(C)C2CCS(=O)(=O)C2)cc(C(F)(F)F)n1
InChIInChI=1S/C11H15F3N4O2S/c1-15-10-16-8(11(12,13)14)5-9(17-10)18(2)7-3-4-21(19,20)6-7/h5,7H,3-4,6H2,1-2H3,(H,15,16,17)
InChIKeyPQMWRLYZJIJDPC-UHFFFAOYSA-N
MW324.33 g/mol
LogP1.16
Rot. Bonds3

About 4-N-(1,1-dioxothiolan-3-yl)-2-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine

4-N-(1,1-dioxothiolan-3-yl)-2-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 114564216) has the molecular formula C11H15F3N4O2S and a molecular weight of 324.33 g/mol. Its IUPAC name is 4-N-(1,1-dioxothiolan-3-yl)-2-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(1,1-dioxothiolan-3-yl)-2-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID114564216
Molecular FormulaC11H15F3N4O2S
Molecular Weight324.33 g/mol
Exact Mass324.09
IUPAC Name4-N-(1,1-dioxothiolan-3-yl)-2-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCNc1nc(N(C)C2CCS(=O)(=O)C2)cc(C(F)(F)F)n1
InChIInChI=1S/C11H15F3N4O2S/c1-15-10-16-8(11(12,13)14)5-9(17-10)18(2)7-3-4-21(19,20)6-7/h5,7H,3-4,6H2,1-2H3,(H,15,16,17)
InChIKeyPQMWRLYZJIJDPC-UHFFFAOYSA-N
XLogP1.16
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.33
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-N-(1,1-dioxothiolan-3-yl)-2-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine with MolForge

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-2-hydrazinyl-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 114566985
2-N,4-N-dimethyl-4-N-(oxan-4-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564203
4-N-(1,1-dioxothiolan-3-yl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114563890
4-N-[(1,1-dioxothiolan-3-yl)methyl]-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564846
4-N-(1,1-dioxothiolan-3-yl)-5-fluoro-2-N,4-N-dimethylpyrimidine-2,4-diamine
CID 80789411
2-N,4-N-bis(1,1-dioxothiolan-3-yl)-2-N,4-N,6-trimethylpyrimidine-2,4-diamine
CID 112921910
4-N-(1,1-dioxothiolan-3-yl)-6-hydrazinyl-4-N-methylpyrimidine-2,4-diamine
CID 80898949
N-cycloheptyl-2-hydrazinyl-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 114566983
2-N-[4-(dimethylamino)phenyl]-4-N-(1,1-dioxothiolan-3-yl)-4-N,6-dimethylpyrimidine-2,4-diamine
CID 112921983
2-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-6-hydrazinyl-N-methylpyrimidin-4-amine
CID 80964070
N-[4-[[4-[(1,1-dioxothiolan-3-yl)-methylamino]-6-methylpyrimidin-2-yl]amino]phenyl]acetamide
CID 112921979
N-cyclopropyl-2-[methyl-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]acetamide
CID 114564651

Frequently Asked Questions

What is the IUPAC name of 4-N-(1,1-dioxothiolan-3-yl)-2-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(1,1-dioxothiolan-3-yl)-2-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine (CID 114564216) is 4-N-(1,1-dioxothiolan-3-yl)-2-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(1,1-dioxothiolan-3-yl)-2-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(1,1-dioxothiolan-3-yl)-2-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine is CNc1nc(N(C)C2CCS(=O)(=O)C2)cc(C(F)(F)F)n1.
What is the InChIKey of 4-N-(1,1-dioxothiolan-3-yl)-2-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is PQMWRLYZJIJDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O2S/c1-15-10-16-8(11(12,13)14)5-9(17-10)18(2)7-3-4-21(19,20)6-7/h5,7H,3-4,6H2,1-2H3,(H,15,16,17).
What are the key properties of 4-N-(1,1-dioxothiolan-3-yl)-2-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
4-N-(1,1-dioxothiolan-3-yl)-2-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 324.33 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1,1-dioxothiolan-3-yl)-2-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 114564216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).