N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-3-methylbut-2-enamide

C15H20FN3O2 — CID 90634343

IUPACN-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-3-methylbut-2-enamide
SMILESCC(C)=CC(=O)NC1CCC(Oc2ncc(F)cn2)CC1
InChIInChI=1S/C15H20FN3O2/c1-10(2)7-14(20)19-12-3-5-13(6-4-12)21-15-17-8-11(16)9-18-15/h7-9,12-13H,3-6H2,1-2H3,(H,19,20)
InChIKeyDVHHTNRESNQGQX-UHFFFAOYSA-N
MW293.34 g/mol
LogP2.39
Rot. Bonds4

About N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-3-methylbut-2-enamide

N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-3-methylbut-2-enamide (PubChem CID 90634343) has the molecular formula C15H20FN3O2 and a molecular weight of 293.34 g/mol. Its IUPAC name is N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-3-methylbut-2-enamide.

Molecular Properties

Compound NameN-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-3-methylbut-2-enamide
PubChem CID90634343
Molecular FormulaC15H20FN3O2
Molecular Weight293.34 g/mol
Exact Mass293.15
IUPAC NameN-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-3-methylbut-2-enamide
SMILESCC(C)=CC(=O)NC1CCC(Oc2ncc(F)cn2)CC1
InChIInChI=1S/C15H20FN3O2/c1-10(2)7-14(20)19-12-3-5-13(6-4-12)21-15-17-8-11(16)9-18-15/h7-9,12-13H,3-6H2,1-2H3,(H,19,20)
InChIKeyDVHHTNRESNQGQX-UHFFFAOYSA-N
XLogP2.39
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-3-methylbut-2-enamide?
The IUPAC name of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-3-methylbut-2-enamide (CID 90634343) is N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-3-methylbut-2-enamide.
What is the SMILES notation for N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-3-methylbut-2-enamide?
The canonical SMILES for N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-3-methylbut-2-enamide is CC(C)=CC(=O)NC1CCC(Oc2ncc(F)cn2)CC1.
What is the InChIKey of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-3-methylbut-2-enamide?
The InChIKey is DVHHTNRESNQGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O2/c1-10(2)7-14(20)19-12-3-5-13(6-4-12)21-15-17-8-11(16)9-18-15/h7-9,12-13H,3-6H2,1-2H3,(H,19,20).
What are the key properties of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-3-methylbut-2-enamide?
N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-3-methylbut-2-enamide has a molecular weight of 293.34 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-3-methylbut-2-enamide is sourced from PubChem (CID 90634343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).