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

C9H13FN4OS — CID 80805373

IUPAC5-fluoro-N-methyl-4-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-2-amine
SMILESCNc1ncc(F)c(N2CCS(=O)CC2)n1
InChIInChI=1S/C9H13FN4OS/c1-11-9-12-6-7(10)8(13-9)14-2-4-16(15)5-3-14/h6H,2-5H2,1H3,(H,11,12,13)
InChIKeyJSWVCYNEKAEQPR-UHFFFAOYSA-N
MW244.29 g/mol
LogP0.23
Rot. Bonds2

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

5-fluoro-N-methyl-4-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-2-amine (PubChem CID 80805373) has the molecular formula C9H13FN4OS and a molecular weight of 244.29 g/mol. Its IUPAC name is 5-fluoro-N-methyl-4-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-methyl-4-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-2-amine
PubChem CID80805373
Molecular FormulaC9H13FN4OS
Molecular Weight244.29 g/mol
Exact Mass244.08
IUPAC Name5-fluoro-N-methyl-4-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-2-amine
SMILESCNc1ncc(F)c(N2CCS(=O)CC2)n1
InChIInChI=1S/C9H13FN4OS/c1-11-9-12-6-7(10)8(13-9)14-2-4-16(15)5-3-14/h6H,2-5H2,1H3,(H,11,12,13)
InChIKeyJSWVCYNEKAEQPR-UHFFFAOYSA-N
XLogP0.23
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-methyl-4-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-2-amine?
The IUPAC name of 5-fluoro-N-methyl-4-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-2-amine (CID 80805373) is 5-fluoro-N-methyl-4-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-N-methyl-4-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-N-methyl-4-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-2-amine is CNc1ncc(F)c(N2CCS(=O)CC2)n1.
What is the InChIKey of 5-fluoro-N-methyl-4-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-2-amine?
The InChIKey is JSWVCYNEKAEQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN4OS/c1-11-9-12-6-7(10)8(13-9)14-2-4-16(15)5-3-14/h6H,2-5H2,1H3,(H,11,12,13).
What are the key properties of 5-fluoro-N-methyl-4-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-2-amine?
5-fluoro-N-methyl-4-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-2-amine has a molecular weight of 244.29 g/mol, XLogP of 0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-methyl-4-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 80805373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).