[2-(6-ethyl-5-fluoropyrimidin-4-yl)oxycyclohexyl]methanamine

C13H20FN3O — CID 114045813

IUPAC[2-(6-ethyl-5-fluoropyrimidin-4-yl)oxycyclohexyl]methanamine
SMILESCCc1ncnc(OC2CCCCC2CN)c1F
InChIInChI=1S/C13H20FN3O/c1-2-10-12(14)13(17-8-16-10)18-11-6-4-3-5-9(11)7-15/h8-9,11H,2-7,15H2,1H3
InChIKeyLOSMOMUZJNWRLY-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.07
Rot. Bonds4

About [2-(6-ethyl-5-fluoropyrimidin-4-yl)oxycyclohexyl]methanamine

[2-(6-ethyl-5-fluoropyrimidin-4-yl)oxycyclohexyl]methanamine (PubChem CID 114045813) has the molecular formula C13H20FN3O and a molecular weight of 253.32 g/mol. Its IUPAC name is [2-(6-ethyl-5-fluoropyrimidin-4-yl)oxycyclohexyl]methanamine.

Molecular Properties

Compound Name[2-(6-ethyl-5-fluoropyrimidin-4-yl)oxycyclohexyl]methanamine
PubChem CID114045813
Molecular FormulaC13H20FN3O
Molecular Weight253.32 g/mol
Exact Mass253.16
IUPAC Name[2-(6-ethyl-5-fluoropyrimidin-4-yl)oxycyclohexyl]methanamine
SMILESCCc1ncnc(OC2CCCCC2CN)c1F
InChIInChI=1S/C13H20FN3O/c1-2-10-12(14)13(17-8-16-10)18-11-6-4-3-5-9(11)7-15/h8-9,11H,2-7,15H2,1H3
InChIKeyLOSMOMUZJNWRLY-UHFFFAOYSA-N
XLogP2.07
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(6-ethyl-5-fluoropyrimidin-4-yl)oxycyclohexyl]methanamine?
The IUPAC name of [2-(6-ethyl-5-fluoropyrimidin-4-yl)oxycyclohexyl]methanamine (CID 114045813) is [2-(6-ethyl-5-fluoropyrimidin-4-yl)oxycyclohexyl]methanamine.
What is the SMILES notation for [2-(6-ethyl-5-fluoropyrimidin-4-yl)oxycyclohexyl]methanamine?
The canonical SMILES for [2-(6-ethyl-5-fluoropyrimidin-4-yl)oxycyclohexyl]methanamine is CCc1ncnc(OC2CCCCC2CN)c1F.
What is the InChIKey of [2-(6-ethyl-5-fluoropyrimidin-4-yl)oxycyclohexyl]methanamine?
The InChIKey is LOSMOMUZJNWRLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3O/c1-2-10-12(14)13(17-8-16-10)18-11-6-4-3-5-9(11)7-15/h8-9,11H,2-7,15H2,1H3.
What are the key properties of [2-(6-ethyl-5-fluoropyrimidin-4-yl)oxycyclohexyl]methanamine?
[2-(6-ethyl-5-fluoropyrimidin-4-yl)oxycyclohexyl]methanamine has a molecular weight of 253.32 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(6-ethyl-5-fluoropyrimidin-4-yl)oxycyclohexyl]methanamine is sourced from PubChem (CID 114045813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).