5-fluoro-4-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-2-amine

C8H11FN4OS — CID 80804796

IUPAC5-fluoro-4-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-2-amine
SMILESNc1ncc(F)c(N2CCS(=O)CC2)n1
InChIInChI=1S/C8H11FN4OS/c9-6-5-11-8(10)12-7(6)13-1-3-15(14)4-2-13/h5H,1-4H2,(H2,10,11,12)
InChIKeyOQBXDJQSCSXMNZ-UHFFFAOYSA-N
MW230.27 g/mol
LogP-0.23
Rot. Bonds1

About 5-fluoro-4-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-2-amine

5-fluoro-4-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-2-amine (PubChem CID 80804796) has the molecular formula C8H11FN4OS and a molecular weight of 230.27 g/mol. Its IUPAC name is 5-fluoro-4-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-4-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-2-amine
PubChem CID80804796
Molecular FormulaC8H11FN4OS
Molecular Weight230.27 g/mol
Exact Mass230.06
IUPAC Name5-fluoro-4-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-2-amine
SMILESNc1ncc(F)c(N2CCS(=O)CC2)n1
InChIInChI=1S/C8H11FN4OS/c9-6-5-11-8(10)12-7(6)13-1-3-15(14)4-2-13/h5H,1-4H2,(H2,10,11,12)
InChIKeyOQBXDJQSCSXMNZ-UHFFFAOYSA-N
XLogP-0.23
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-fluoro-4-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-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

Related Compounds

5-Fluoro-2-(piperidin-1-yl)pyrimidin-4-amine
CID 745185
5-(Isopropylsulfonyl)-2-piperidinopyrimidin-4-amine
CID 2778668
5-Methyl-4-{4-[2-(methylthio)ethyl]piperazin-1-yl}pyrimidin-2-amine
CID 72857715
N~2~-[2-(cyclohexylthio)ethyl]-5-fluoro-N~4~,N~4~-dimethylpyrimidine-2,4-diamine
CID 72845303
N,N-dimethyl-2-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-4-amine
CID 75507839
5-[(1,1-dioxidothiomorpholin-4-yl)methyl]-N,N-dimethylpyrimidin-2-amine
CID 77080738
5-[(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N,N-dimethylpyrimidin-2-amine
CID 136519674
2-N-[(3S)-1,1-dioxothiolan-3-yl]-5-fluoro-4-N,4-N-dimethylpyrimidine-2,4-diamine
CID 164640661
4-(2-Chloro-5-fluoropyrimidin-4-yl)-1,4-thiazinane 1-oxide
CID 54478754
4-(5-Fluoro-2-piperazin-1-ylpyrimidin-4-yl)-1,4-thiazinane 1-oxide
CID 54549819
[4-(Dimethylaminomethylideneamino)-5-fluoropyrimidin-2-yl] propane-1-sulfonate
CID 57819259
5-Fluoro-4-piperidin-1-ylpyrimidin-2-amine
CID 80764652

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-2-amine?
The IUPAC name of 5-fluoro-4-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-2-amine (CID 80804796) is 5-fluoro-4-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-4-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-4-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-2-amine is Nc1ncc(F)c(N2CCS(=O)CC2)n1.
What is the InChIKey of 5-fluoro-4-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-2-amine?
The InChIKey is OQBXDJQSCSXMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN4OS/c9-6-5-11-8(10)12-7(6)13-1-3-15(14)4-2-13/h5H,1-4H2,(H2,10,11,12).
What are the key properties of 5-fluoro-4-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-2-amine?
5-fluoro-4-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-2-amine has a molecular weight of 230.27 g/mol, XLogP of -0.23, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 80804796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).