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

C15H16FN5O2 — CID 90634312

IUPACN-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]pyrazine-2-carboxamide
SMILESO=C(NC1CCC(Oc2ncc(F)cn2)CC1)c1cnccn1
InChIInChI=1S/C15H16FN5O2/c16-10-7-19-15(20-8-10)23-12-3-1-11(2-4-12)21-14(22)13-9-17-5-6-18-13/h5-9,11-12H,1-4H2,(H,21,22)
InChIKeyVPOZVFBWQLRHEA-UHFFFAOYSA-N
MW317.32 g/mol
LogP1.53
Rot. Bonds4

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

N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]pyrazine-2-carboxamide (PubChem CID 90634312) has the molecular formula C15H16FN5O2 and a molecular weight of 317.32 g/mol. Its IUPAC name is N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]pyrazine-2-carboxamide
PubChem CID90634312
Molecular FormulaC15H16FN5O2
Molecular Weight317.32 g/mol
Exact Mass317.13
IUPAC NameN-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]pyrazine-2-carboxamide
SMILESO=C(NC1CCC(Oc2ncc(F)cn2)CC1)c1cnccn1
InChIInChI=1S/C15H16FN5O2/c16-10-7-19-15(20-8-10)23-12-3-1-11(2-4-12)21-14(22)13-9-17-5-6-18-13/h5-9,11-12H,1-4H2,(H,21,22)
InChIKeyVPOZVFBWQLRHEA-UHFFFAOYSA-N
XLogP1.53
TPSA89.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.32
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]pyrazine-2-carboxamide?
The IUPAC name of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]pyrazine-2-carboxamide (CID 90634312) is N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]pyrazine-2-carboxamide is O=C(NC1CCC(Oc2ncc(F)cn2)CC1)c1cnccn1.
What is the InChIKey of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]pyrazine-2-carboxamide?
The InChIKey is VPOZVFBWQLRHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN5O2/c16-10-7-19-15(20-8-10)23-12-3-1-11(2-4-12)21-14(22)13-9-17-5-6-18-13/h5-9,11-12H,1-4H2,(H,21,22).
What are the key properties of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]pyrazine-2-carboxamide?
N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]pyrazine-2-carboxamide has a molecular weight of 317.32 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]pyrazine-2-carboxamide is sourced from PubChem (CID 90634312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).