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

C16H18FN5O2 — CID 90634405

IUPACN-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)NC2CCC(Oc3ncc(F)cn3)CC2)cn1
InChIInChI=1S/C16H18FN5O2/c1-10-6-19-14(9-18-10)15(23)22-12-2-4-13(5-3-12)24-16-20-7-11(17)8-21-16/h6-9,12-13H,2-5H2,1H3,(H,22,23)
InChIKeyYGSHJZXWWLMZSB-UHFFFAOYSA-N
MW331.35 g/mol
LogP1.83
Rot. Bonds4

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

N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-5-methylpyrazine-2-carboxamide (PubChem CID 90634405) has the molecular formula C16H18FN5O2 and a molecular weight of 331.35 g/mol. Its IUPAC name is N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-5-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-5-methylpyrazine-2-carboxamide
PubChem CID90634405
Molecular FormulaC16H18FN5O2
Molecular Weight331.35 g/mol
Exact Mass331.14
IUPAC NameN-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)NC2CCC(Oc3ncc(F)cn3)CC2)cn1
InChIInChI=1S/C16H18FN5O2/c1-10-6-19-14(9-18-10)15(23)22-12-2-4-13(5-3-12)24-16-20-7-11(17)8-21-16/h6-9,12-13H,2-5H2,1H3,(H,22,23)
InChIKeyYGSHJZXWWLMZSB-UHFFFAOYSA-N
XLogP1.83
TPSA89.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 51.83
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]-5-methylpyrazine-2-carboxamide?
The IUPAC name of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-5-methylpyrazine-2-carboxamide (CID 90634405) is N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-5-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-5-methylpyrazine-2-carboxamide?
The canonical SMILES for N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-5-methylpyrazine-2-carboxamide is Cc1cnc(C(=O)NC2CCC(Oc3ncc(F)cn3)CC2)cn1.
What is the InChIKey of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-5-methylpyrazine-2-carboxamide?
The InChIKey is YGSHJZXWWLMZSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN5O2/c1-10-6-19-14(9-18-10)15(23)22-12-2-4-13(5-3-12)24-16-20-7-11(17)8-21-16/h6-9,12-13H,2-5H2,1H3,(H,22,23).
What are the key properties of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-5-methylpyrazine-2-carboxamide?
N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-5-methylpyrazine-2-carboxamide has a molecular weight of 331.35 g/mol, XLogP of 1.83, 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]-5-methylpyrazine-2-carboxamide is sourced from PubChem (CID 90634405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).