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

C11H16FN3O — CID 82839520

IUPAC5-fluoro-N,6-dimethyl-2-(5-methyloxolan-2-yl)pyrimidin-4-amine
SMILESCNc1nc(C2CCC(C)O2)nc(C)c1F
InChIInChI=1S/C11H16FN3O/c1-6-4-5-8(16-6)10-14-7(2)9(12)11(13-3)15-10/h6,8H,4-5H2,1-3H3,(H,13,14,15)
InChIKeyKKVUDFUXZMXGRU-UHFFFAOYSA-N
MW225.27 g/mol
LogP2.21
Rot. Bonds2

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

5-fluoro-N,6-dimethyl-2-(5-methyloxolan-2-yl)pyrimidin-4-amine (PubChem CID 82839520) has the molecular formula C11H16FN3O and a molecular weight of 225.27 g/mol. Its IUPAC name is 5-fluoro-N,6-dimethyl-2-(5-methyloxolan-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-N,6-dimethyl-2-(5-methyloxolan-2-yl)pyrimidin-4-amine
PubChem CID82839520
Molecular FormulaC11H16FN3O
Molecular Weight225.27 g/mol
Exact Mass225.13
IUPAC Name5-fluoro-N,6-dimethyl-2-(5-methyloxolan-2-yl)pyrimidin-4-amine
SMILESCNc1nc(C2CCC(C)O2)nc(C)c1F
InChIInChI=1S/C11H16FN3O/c1-6-4-5-8(16-6)10-14-7(2)9(12)11(13-3)15-10/h6,8H,4-5H2,1-3H3,(H,13,14,15)
InChIKeyKKVUDFUXZMXGRU-UHFFFAOYSA-N
XLogP2.21
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N,6-dimethyl-2-(5-methyloxolan-2-yl)pyrimidin-4-amine?
The IUPAC name of 5-fluoro-N,6-dimethyl-2-(5-methyloxolan-2-yl)pyrimidin-4-amine (CID 82839520) is 5-fluoro-N,6-dimethyl-2-(5-methyloxolan-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-N,6-dimethyl-2-(5-methyloxolan-2-yl)pyrimidin-4-amine?
The canonical SMILES for 5-fluoro-N,6-dimethyl-2-(5-methyloxolan-2-yl)pyrimidin-4-amine is CNc1nc(C2CCC(C)O2)nc(C)c1F.
What is the InChIKey of 5-fluoro-N,6-dimethyl-2-(5-methyloxolan-2-yl)pyrimidin-4-amine?
The InChIKey is KKVUDFUXZMXGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O/c1-6-4-5-8(16-6)10-14-7(2)9(12)11(13-3)15-10/h6,8H,4-5H2,1-3H3,(H,13,14,15).
What are the key properties of 5-fluoro-N,6-dimethyl-2-(5-methyloxolan-2-yl)pyrimidin-4-amine?
5-fluoro-N,6-dimethyl-2-(5-methyloxolan-2-yl)pyrimidin-4-amine has a molecular weight of 225.27 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N,6-dimethyl-2-(5-methyloxolan-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 82839520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).