N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]butanamide

C14H20FN3O2 — CID 90634165

IUPACN-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]butanamide
SMILESCCCC(=O)NC1CCC(Oc2ncc(F)cn2)CC1
InChIInChI=1S/C14H20FN3O2/c1-2-3-13(19)18-11-4-6-12(7-5-11)20-14-16-8-10(15)9-17-14/h8-9,11-12H,2-7H2,1H3,(H,18,19)
InChIKeyKYCFAQAJKHMQKQ-UHFFFAOYSA-N
MW281.33 g/mol
LogP2.22
Rot. Bonds5

About N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]butanamide

N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]butanamide (PubChem CID 90634165) has the molecular formula C14H20FN3O2 and a molecular weight of 281.33 g/mol. Its IUPAC name is N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]butanamide.

Molecular Properties

Compound NameN-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]butanamide
PubChem CID90634165
Molecular FormulaC14H20FN3O2
Molecular Weight281.33 g/mol
Exact Mass281.15
IUPAC NameN-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]butanamide
SMILESCCCC(=O)NC1CCC(Oc2ncc(F)cn2)CC1
InChIInChI=1S/C14H20FN3O2/c1-2-3-13(19)18-11-4-6-12(7-5-11)20-14-16-8-10(15)9-17-14/h8-9,11-12H,2-7H2,1H3,(H,18,19)
InChIKeyKYCFAQAJKHMQKQ-UHFFFAOYSA-N
XLogP2.22
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]butanamide?
The IUPAC name of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]butanamide (CID 90634165) is N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]butanamide.
What is the SMILES notation for N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]butanamide?
The canonical SMILES for N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]butanamide is CCCC(=O)NC1CCC(Oc2ncc(F)cn2)CC1.
What is the InChIKey of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]butanamide?
The InChIKey is KYCFAQAJKHMQKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O2/c1-2-3-13(19)18-11-4-6-12(7-5-11)20-14-16-8-10(15)9-17-14/h8-9,11-12H,2-7H2,1H3,(H,18,19).
What are the key properties of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]butanamide?
N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]butanamide has a molecular weight of 281.33 g/mol, XLogP of 2.22, 5 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]butanamide is sourced from PubChem (CID 90634165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).