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

C10H15FN4OS — CID 80804549

IUPACN-ethyl-5-fluoro-4-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-2-amine
SMILESCCNc1ncc(F)c(N2CCS(=O)CC2)n1
InChIInChI=1S/C10H15FN4OS/c1-2-12-10-13-7-8(11)9(14-10)15-3-5-17(16)6-4-15/h7H,2-6H2,1H3,(H,12,13,14)
InChIKeyGKUIXOYMARDNLE-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.62
Rot. Bonds3

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

N-ethyl-5-fluoro-4-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-2-amine (PubChem CID 80804549) has the molecular formula C10H15FN4OS and a molecular weight of 258.32 g/mol. Its IUPAC name is N-ethyl-5-fluoro-4-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-5-fluoro-4-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-2-amine
PubChem CID80804549
Molecular FormulaC10H15FN4OS
Molecular Weight258.32 g/mol
Exact Mass258.10
IUPAC NameN-ethyl-5-fluoro-4-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-2-amine
SMILESCCNc1ncc(F)c(N2CCS(=O)CC2)n1
InChIInChI=1S/C10H15FN4OS/c1-2-12-10-13-7-8(11)9(14-10)15-3-5-17(16)6-4-15/h7H,2-6H2,1H3,(H,12,13,14)
InChIKeyGKUIXOYMARDNLE-UHFFFAOYSA-N
XLogP0.62
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-fluoro-4-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-2-amine?
The IUPAC name of N-ethyl-5-fluoro-4-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-2-amine (CID 80804549) is N-ethyl-5-fluoro-4-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-2-amine.
What is the SMILES notation for N-ethyl-5-fluoro-4-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-2-amine?
The canonical SMILES for N-ethyl-5-fluoro-4-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-2-amine is CCNc1ncc(F)c(N2CCS(=O)CC2)n1.
What is the InChIKey of N-ethyl-5-fluoro-4-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-2-amine?
The InChIKey is GKUIXOYMARDNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN4OS/c1-2-12-10-13-7-8(11)9(14-10)15-3-5-17(16)6-4-15/h7H,2-6H2,1H3,(H,12,13,14).
What are the key properties of N-ethyl-5-fluoro-4-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-2-amine?
N-ethyl-5-fluoro-4-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-2-amine has a molecular weight of 258.32 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-fluoro-4-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 80804549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).