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

C11H17FN4OS — CID 80805374

IUPAC5-fluoro-4-(1-oxo-1,4-thiazinan-4-yl)-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(F)c(N2CCS(=O)CC2)n1
InChIInChI=1S/C11H17FN4OS/c1-2-3-13-11-14-8-9(12)10(15-11)16-4-6-18(17)7-5-16/h8H,2-7H2,1H3,(H,13,14,15)
InChIKeyAJFBQIDLYDQXAT-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.01
Rot. Bonds4

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

5-fluoro-4-(1-oxo-1,4-thiazinan-4-yl)-N-propylpyrimidin-2-amine (PubChem CID 80805374) has the molecular formula C11H17FN4OS and a molecular weight of 272.35 g/mol. Its IUPAC name is 5-fluoro-4-(1-oxo-1,4-thiazinan-4-yl)-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-4-(1-oxo-1,4-thiazinan-4-yl)-N-propylpyrimidin-2-amine
PubChem CID80805374
Molecular FormulaC11H17FN4OS
Molecular Weight272.35 g/mol
Exact Mass272.11
IUPAC Name5-fluoro-4-(1-oxo-1,4-thiazinan-4-yl)-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(F)c(N2CCS(=O)CC2)n1
InChIInChI=1S/C11H17FN4OS/c1-2-3-13-11-14-8-9(12)10(15-11)16-4-6-18(17)7-5-16/h8H,2-7H2,1H3,(H,13,14,15)
InChIKeyAJFBQIDLYDQXAT-UHFFFAOYSA-N
XLogP1.01
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-(1-oxo-1,4-thiazinan-4-yl)-N-propylpyrimidin-2-amine?
The IUPAC name of 5-fluoro-4-(1-oxo-1,4-thiazinan-4-yl)-N-propylpyrimidin-2-amine (CID 80805374) is 5-fluoro-4-(1-oxo-1,4-thiazinan-4-yl)-N-propylpyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-4-(1-oxo-1,4-thiazinan-4-yl)-N-propylpyrimidin-2-amine?
The canonical SMILES for 5-fluoro-4-(1-oxo-1,4-thiazinan-4-yl)-N-propylpyrimidin-2-amine is CCCNc1ncc(F)c(N2CCS(=O)CC2)n1.
What is the InChIKey of 5-fluoro-4-(1-oxo-1,4-thiazinan-4-yl)-N-propylpyrimidin-2-amine?
The InChIKey is AJFBQIDLYDQXAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN4OS/c1-2-3-13-11-14-8-9(12)10(15-11)16-4-6-18(17)7-5-16/h8H,2-7H2,1H3,(H,13,14,15).
What are the key properties of 5-fluoro-4-(1-oxo-1,4-thiazinan-4-yl)-N-propylpyrimidin-2-amine?
5-fluoro-4-(1-oxo-1,4-thiazinan-4-yl)-N-propylpyrimidin-2-amine has a molecular weight of 272.35 g/mol, XLogP of 1.01, 4 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)-N-propylpyrimidin-2-amine is sourced from PubChem (CID 80805374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).