N-ethyl-5-fluoro-6-methyl-2-(1,4-oxathian-2-yl)pyrimidin-4-amine

C11H16FN3OS — CID 79968937

IUPACN-ethyl-5-fluoro-6-methyl-2-(1,4-oxathian-2-yl)pyrimidin-4-amine
SMILESCCNc1nc(C2CSCCO2)nc(C)c1F
InChIInChI=1S/C11H16FN3OS/c1-3-13-11-9(12)7(2)14-10(15-11)8-6-17-5-4-16-8/h8H,3-6H2,1-2H3,(H,13,14,15)
InChIKeyAGRMNHDWQFHUDT-UHFFFAOYSA-N
MW257.33 g/mol
LogP2.16
Rot. Bonds3

About N-ethyl-5-fluoro-6-methyl-2-(1,4-oxathian-2-yl)pyrimidin-4-amine

N-ethyl-5-fluoro-6-methyl-2-(1,4-oxathian-2-yl)pyrimidin-4-amine (PubChem CID 79968937) has the molecular formula C11H16FN3OS and a molecular weight of 257.33 g/mol. Its IUPAC name is N-ethyl-5-fluoro-6-methyl-2-(1,4-oxathian-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-5-fluoro-6-methyl-2-(1,4-oxathian-2-yl)pyrimidin-4-amine
PubChem CID79968937
Molecular FormulaC11H16FN3OS
Molecular Weight257.33 g/mol
Exact Mass257.10
IUPAC NameN-ethyl-5-fluoro-6-methyl-2-(1,4-oxathian-2-yl)pyrimidin-4-amine
SMILESCCNc1nc(C2CSCCO2)nc(C)c1F
InChIInChI=1S/C11H16FN3OS/c1-3-13-11-9(12)7(2)14-10(15-11)8-6-17-5-4-16-8/h8H,3-6H2,1-2H3,(H,13,14,15)
InChIKeyAGRMNHDWQFHUDT-UHFFFAOYSA-N
XLogP2.16
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.16
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-6-methyl-2-(1,4-oxathian-2-yl)pyrimidin-4-amine?
The IUPAC name of N-ethyl-5-fluoro-6-methyl-2-(1,4-oxathian-2-yl)pyrimidin-4-amine (CID 79968937) is N-ethyl-5-fluoro-6-methyl-2-(1,4-oxathian-2-yl)pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-5-fluoro-6-methyl-2-(1,4-oxathian-2-yl)pyrimidin-4-amine?
The canonical SMILES for N-ethyl-5-fluoro-6-methyl-2-(1,4-oxathian-2-yl)pyrimidin-4-amine is CCNc1nc(C2CSCCO2)nc(C)c1F.
What is the InChIKey of N-ethyl-5-fluoro-6-methyl-2-(1,4-oxathian-2-yl)pyrimidin-4-amine?
The InChIKey is AGRMNHDWQFHUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3OS/c1-3-13-11-9(12)7(2)14-10(15-11)8-6-17-5-4-16-8/h8H,3-6H2,1-2H3,(H,13,14,15).
What are the key properties of N-ethyl-5-fluoro-6-methyl-2-(1,4-oxathian-2-yl)pyrimidin-4-amine?
N-ethyl-5-fluoro-6-methyl-2-(1,4-oxathian-2-yl)pyrimidin-4-amine has a molecular weight of 257.33 g/mol, XLogP of 2.16, 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-6-methyl-2-(1,4-oxathian-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 79968937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).