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

C10H13F3N4O2S — CID 114563890

IUPAC4-N-(1,1-dioxothiolan-3-yl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCNc1nc(NC2CCS(=O)(=O)C2)cc(C(F)(F)F)n1
InChIInChI=1S/C10H13F3N4O2S/c1-14-9-16-7(10(11,12)13)4-8(17-9)15-6-2-3-20(18,19)5-6/h4,6H,2-3,5H2,1H3,(H2,14,15,16,17)
InChIKeyBSWGXKZQJVLMNT-UHFFFAOYSA-N
MW310.30 g/mol
LogP1.14
Rot. Bonds3

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

4-N-(1,1-dioxothiolan-3-yl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 114563890) has the molecular formula C10H13F3N4O2S and a molecular weight of 310.30 g/mol. Its IUPAC name is 4-N-(1,1-dioxothiolan-3-yl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(1,1-dioxothiolan-3-yl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID114563890
Molecular FormulaC10H13F3N4O2S
Molecular Weight310.30 g/mol
Exact Mass310.07
IUPAC Name4-N-(1,1-dioxothiolan-3-yl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCNc1nc(NC2CCS(=O)(=O)C2)cc(C(F)(F)F)n1
InChIInChI=1S/C10H13F3N4O2S/c1-14-9-16-7(10(11,12)13)4-8(17-9)15-6-2-3-20(18,19)5-6/h4,6H,2-3,5H2,1H3,(H2,14,15,16,17)
InChIKeyBSWGXKZQJVLMNT-UHFFFAOYSA-N
XLogP1.14
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.30
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

4-N-(1,1-dioxothiolan-3-yl)-2-N-ethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114563891
4-N-cyclopropyl-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114563830
4-N-[(1,1-dioxothiolan-3-yl)methyl]-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564846
2-N-methyl-4-N-(3-methylcyclobutyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565796
2-N-methyl-4-N-(3-methylcyclopentyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114566037
4-N-(3,5-dimethylcyclohexyl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565264
4-N-(1,1-dioxothiolan-3-yl)-2-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564216
4-N-(1,1-dioxothiolan-3-yl)-6-N-ethyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770460
2-N-methyl-4-N-(thian-3-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565933
4-N-(1,1-dioxothian-3-yl)-2-N-methylpyrimidine-2,4-diamine
CID 80839228
N-(1,1-dioxothiolan-3-yl)-2-hydrazinyl-6-methylpyrimidin-4-amine
CID 80932792
N-(1,1-dioxothian-4-yl)-4-methoxy-6-(trifluoromethyl)pyrimidin-2-amine
CID 154783261

Frequently Asked Questions

What is the IUPAC name of 4-N-(1,1-dioxothiolan-3-yl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(1,1-dioxothiolan-3-yl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine (CID 114563890) is 4-N-(1,1-dioxothiolan-3-yl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(1,1-dioxothiolan-3-yl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(1,1-dioxothiolan-3-yl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine is CNc1nc(NC2CCS(=O)(=O)C2)cc(C(F)(F)F)n1.
What is the InChIKey of 4-N-(1,1-dioxothiolan-3-yl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is BSWGXKZQJVLMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4O2S/c1-14-9-16-7(10(11,12)13)4-8(17-9)15-6-2-3-20(18,19)5-6/h4,6H,2-3,5H2,1H3,(H2,14,15,16,17).
What are the key properties of 4-N-(1,1-dioxothiolan-3-yl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
4-N-(1,1-dioxothiolan-3-yl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 310.30 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 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-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 114563890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).