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

C10H14FN3OS — CID 79968936

IUPAC5-fluoro-N,6-dimethyl-2-(1,4-oxathian-2-yl)pyrimidin-4-amine
SMILESCNc1nc(C2CSCCO2)nc(C)c1F
InChIInChI=1S/C10H14FN3OS/c1-6-8(11)10(12-2)14-9(13-6)7-5-16-4-3-15-7/h7H,3-5H2,1-2H3,(H,12,13,14)
InChIKeyZKOAEKLPQVVQDZ-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.77
Rot. Bonds2

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

5-fluoro-N,6-dimethyl-2-(1,4-oxathian-2-yl)pyrimidin-4-amine (PubChem CID 79968936) has the molecular formula C10H14FN3OS and a molecular weight of 243.31 g/mol. Its IUPAC name is 5-fluoro-N,6-dimethyl-2-(1,4-oxathian-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-N,6-dimethyl-2-(1,4-oxathian-2-yl)pyrimidin-4-amine
PubChem CID79968936
Molecular FormulaC10H14FN3OS
Molecular Weight243.31 g/mol
Exact Mass243.08
IUPAC Name5-fluoro-N,6-dimethyl-2-(1,4-oxathian-2-yl)pyrimidin-4-amine
SMILESCNc1nc(C2CSCCO2)nc(C)c1F
InChIInChI=1S/C10H14FN3OS/c1-6-8(11)10(12-2)14-9(13-6)7-5-16-4-3-15-7/h7H,3-5H2,1-2H3,(H,12,13,14)
InChIKeyZKOAEKLPQVVQDZ-UHFFFAOYSA-N
XLogP1.77
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N,6-dimethyl-2-(1,4-oxathian-2-yl)pyrimidin-4-amine?
The IUPAC name of 5-fluoro-N,6-dimethyl-2-(1,4-oxathian-2-yl)pyrimidin-4-amine (CID 79968936) is 5-fluoro-N,6-dimethyl-2-(1,4-oxathian-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-N,6-dimethyl-2-(1,4-oxathian-2-yl)pyrimidin-4-amine?
The canonical SMILES for 5-fluoro-N,6-dimethyl-2-(1,4-oxathian-2-yl)pyrimidin-4-amine is CNc1nc(C2CSCCO2)nc(C)c1F.
What is the InChIKey of 5-fluoro-N,6-dimethyl-2-(1,4-oxathian-2-yl)pyrimidin-4-amine?
The InChIKey is ZKOAEKLPQVVQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3OS/c1-6-8(11)10(12-2)14-9(13-6)7-5-16-4-3-15-7/h7H,3-5H2,1-2H3,(H,12,13,14).
What are the key properties of 5-fluoro-N,6-dimethyl-2-(1,4-oxathian-2-yl)pyrimidin-4-amine?
5-fluoro-N,6-dimethyl-2-(1,4-oxathian-2-yl)pyrimidin-4-amine has a molecular weight of 243.31 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N,6-dimethyl-2-(1,4-oxathian-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 79968936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).