5-fluoro-4-(2-methylcyclohexyl)oxypyrimidin-2-amine

C11H16FN3O — CID 80858364

IUPAC5-fluoro-4-(2-methylcyclohexyl)oxypyrimidin-2-amine
SMILESCC1CCCCC1Oc1nc(N)ncc1F
InChIInChI=1S/C11H16FN3O/c1-7-4-2-3-5-9(7)16-10-8(12)6-14-11(13)15-10/h6-7,9H,2-5H2,1H3,(H2,13,14,15)
InChIKeyHMVZKPRQTALHTJ-UHFFFAOYSA-N
MW225.27 g/mol
LogP2.16
Rot. Bonds2

About 5-fluoro-4-(2-methylcyclohexyl)oxypyrimidin-2-amine

5-fluoro-4-(2-methylcyclohexyl)oxypyrimidin-2-amine (PubChem CID 80858364) has the molecular formula C11H16FN3O and a molecular weight of 225.27 g/mol. Its IUPAC name is 5-fluoro-4-(2-methylcyclohexyl)oxypyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-4-(2-methylcyclohexyl)oxypyrimidin-2-amine
PubChem CID80858364
Molecular FormulaC11H16FN3O
Molecular Weight225.27 g/mol
Exact Mass225.13
IUPAC Name5-fluoro-4-(2-methylcyclohexyl)oxypyrimidin-2-amine
SMILESCC1CCCCC1Oc1nc(N)ncc1F
InChIInChI=1S/C11H16FN3O/c1-7-4-2-3-5-9(7)16-10-8(12)6-14-11(13)15-10/h6-7,9H,2-5H2,1H3,(H2,13,14,15)
InChIKeyHMVZKPRQTALHTJ-UHFFFAOYSA-N
XLogP2.16
TPSA61.03 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 ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-(2-methylcyclohexyl)oxypyrimidin-2-amine?
The IUPAC name of 5-fluoro-4-(2-methylcyclohexyl)oxypyrimidin-2-amine (CID 80858364) is 5-fluoro-4-(2-methylcyclohexyl)oxypyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-4-(2-methylcyclohexyl)oxypyrimidin-2-amine?
The canonical SMILES for 5-fluoro-4-(2-methylcyclohexyl)oxypyrimidin-2-amine is CC1CCCCC1Oc1nc(N)ncc1F.
What is the InChIKey of 5-fluoro-4-(2-methylcyclohexyl)oxypyrimidin-2-amine?
The InChIKey is HMVZKPRQTALHTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O/c1-7-4-2-3-5-9(7)16-10-8(12)6-14-11(13)15-10/h6-7,9H,2-5H2,1H3,(H2,13,14,15).
What are the key properties of 5-fluoro-4-(2-methylcyclohexyl)oxypyrimidin-2-amine?
5-fluoro-4-(2-methylcyclohexyl)oxypyrimidin-2-amine has a molecular weight of 225.27 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-(2-methylcyclohexyl)oxypyrimidin-2-amine is sourced from PubChem (CID 80858364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).