N-[4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]cyclohexyl]acetamide

C16H24FN5O2 — CID 172592025

IUPACN-[4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]cyclohexyl]acetamide
SMILESCC(=O)NC1CCC(Nc2ncc(F)c(N3CCOCC3)n2)CC1
InChIInChI=1S/C16H24FN5O2/c1-11(23)19-12-2-4-13(5-3-12)20-16-18-10-14(17)15(21-16)22-6-8-24-9-7-22/h10,12-13H,2-9H2,1H3,(H,19,23)(H,18,20,21)
InChIKeyXJWMAXIHFSGVKT-UHFFFAOYSA-N
MW337.40 g/mol
LogP1.31
Rot. Bonds4

About N-[4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]cyclohexyl]acetamide

N-[4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]cyclohexyl]acetamide (PubChem CID 172592025) has the molecular formula C16H24FN5O2 and a molecular weight of 337.40 g/mol. Its IUPAC name is N-[4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]cyclohexyl]acetamide.

Molecular Properties

Compound NameN-[4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]cyclohexyl]acetamide
PubChem CID172592025
Molecular FormulaC16H24FN5O2
Molecular Weight337.40 g/mol
Exact Mass337.19
IUPAC NameN-[4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]cyclohexyl]acetamide
SMILESCC(=O)NC1CCC(Nc2ncc(F)c(N3CCOCC3)n2)CC1
InChIInChI=1S/C16H24FN5O2/c1-11(23)19-12-2-4-13(5-3-12)20-16-18-10-14(17)15(21-16)22-6-8-24-9-7-22/h10,12-13H,2-9H2,1H3,(H,19,23)(H,18,20,21)
InChIKeyXJWMAXIHFSGVKT-UHFFFAOYSA-N
XLogP1.31
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]cyclohexyl]acetamide?
The IUPAC name of N-[4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]cyclohexyl]acetamide (CID 172592025) is N-[4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]cyclohexyl]acetamide.
What is the SMILES notation for N-[4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]cyclohexyl]acetamide?
The canonical SMILES for N-[4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]cyclohexyl]acetamide is CC(=O)NC1CCC(Nc2ncc(F)c(N3CCOCC3)n2)CC1.
What is the InChIKey of N-[4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]cyclohexyl]acetamide?
The InChIKey is XJWMAXIHFSGVKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN5O2/c1-11(23)19-12-2-4-13(5-3-12)20-16-18-10-14(17)15(21-16)22-6-8-24-9-7-22/h10,12-13H,2-9H2,1H3,(H,19,23)(H,18,20,21).
What are the key properties of N-[4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]cyclohexyl]acetamide?
N-[4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]cyclohexyl]acetamide has a molecular weight of 337.40 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]cyclohexyl]acetamide is sourced from PubChem (CID 172592025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).