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

C9H12FN3OS — CID 79968816

IUPAC5-fluoro-6-methyl-2-(1,4-oxathian-2-yl)pyrimidin-4-amine
SMILESCc1nc(C2CSCCO2)nc(N)c1F
InChIInChI=1S/C9H12FN3OS/c1-5-7(10)8(11)13-9(12-5)6-4-15-3-2-14-6/h6H,2-4H2,1H3,(H2,11,12,13)
InChIKeyBBOYXVZQAXTUAJ-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.31
Rot. Bonds1

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

5-fluoro-6-methyl-2-(1,4-oxathian-2-yl)pyrimidin-4-amine (PubChem CID 79968816) has the molecular formula C9H12FN3OS and a molecular weight of 229.28 g/mol. Its IUPAC name is 5-fluoro-6-methyl-2-(1,4-oxathian-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-6-methyl-2-(1,4-oxathian-2-yl)pyrimidin-4-amine
PubChem CID79968816
Molecular FormulaC9H12FN3OS
Molecular Weight229.28 g/mol
Exact Mass229.07
IUPAC Name5-fluoro-6-methyl-2-(1,4-oxathian-2-yl)pyrimidin-4-amine
SMILESCc1nc(C2CSCCO2)nc(N)c1F
InChIInChI=1S/C9H12FN3OS/c1-5-7(10)8(11)13-9(12-5)6-4-15-3-2-14-6/h6H,2-4H2,1H3,(H2,11,12,13)
InChIKeyBBOYXVZQAXTUAJ-UHFFFAOYSA-N
XLogP1.31
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-methyl-2-(1,4-oxathian-2-yl)pyrimidin-4-amine?
The IUPAC name of 5-fluoro-6-methyl-2-(1,4-oxathian-2-yl)pyrimidin-4-amine (CID 79968816) is 5-fluoro-6-methyl-2-(1,4-oxathian-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-6-methyl-2-(1,4-oxathian-2-yl)pyrimidin-4-amine?
The canonical SMILES for 5-fluoro-6-methyl-2-(1,4-oxathian-2-yl)pyrimidin-4-amine is Cc1nc(C2CSCCO2)nc(N)c1F.
What is the InChIKey of 5-fluoro-6-methyl-2-(1,4-oxathian-2-yl)pyrimidin-4-amine?
The InChIKey is BBOYXVZQAXTUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3OS/c1-5-7(10)8(11)13-9(12-5)6-4-15-3-2-14-6/h6H,2-4H2,1H3,(H2,11,12,13).
What are the key properties of 5-fluoro-6-methyl-2-(1,4-oxathian-2-yl)pyrimidin-4-amine?
5-fluoro-6-methyl-2-(1,4-oxathian-2-yl)pyrimidin-4-amine has a molecular weight of 229.28 g/mol, XLogP of 1.31, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-methyl-2-(1,4-oxathian-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 79968816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).