2-cyclohexyl-N-[(1R)-1-(4-fluorophenyl)-2-(2-morpholin-4-yl-6-oxo-1H-pyrimidin-4-yl)ethyl]acetamide

C24H31FN4O3 — CID 136681378

IUPAC2-cyclohexyl-N-[(1R)-1-(4-fluorophenyl)-2-(2-morpholin-4-yl-6-oxo-1H-pyrimidin-4-yl)ethyl]acetamide
SMILESO=C(CC1CCCCC1)N[C@H](Cc1cc(=O)[nH]c(N2CCOCC2)n1)c1ccc(F)cc1
InChIInChI=1S/C24H31FN4O3/c25-19-8-6-18(7-9-19)21(27-22(30)14-17-4-2-1-3-5-17)15-20-16-23(31)28-24(26-20)29-10-12-32-13-11-29/h6-9,16-17,21H,1-5,10-15H2,(H,27,30)(H,26,28,31)/t21-/m1/s1
InChIKeySIYWITGXPNTYMI-OAQYLSRUSA-N
MW442.54 g/mol
LogP3.12
Rot. Bonds7

About 2-cyclohexyl-N-[(1R)-1-(4-fluorophenyl)-2-(2-morpholin-4-yl-6-oxo-1H-pyrimidin-4-yl)ethyl]acetamide

2-cyclohexyl-N-[(1R)-1-(4-fluorophenyl)-2-(2-morpholin-4-yl-6-oxo-1H-pyrimidin-4-yl)ethyl]acetamide (PubChem CID 136681378) has the molecular formula C24H31FN4O3 and a molecular weight of 442.54 g/mol. Its IUPAC name is 2-cyclohexyl-N-[(1R)-1-(4-fluorophenyl)-2-(2-morpholin-4-yl-6-oxo-1H-pyrimidin-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-[(1R)-1-(4-fluorophenyl)-2-(2-morpholin-4-yl-6-oxo-1H-pyrimidin-4-yl)ethyl]acetamide
PubChem CID136681378
Molecular FormulaC24H31FN4O3
Molecular Weight442.54 g/mol
Exact Mass442.24
IUPAC Name2-cyclohexyl-N-[(1R)-1-(4-fluorophenyl)-2-(2-morpholin-4-yl-6-oxo-1H-pyrimidin-4-yl)ethyl]acetamide
SMILESO=C(CC1CCCCC1)N[C@H](Cc1cc(=O)[nH]c(N2CCOCC2)n1)c1ccc(F)cc1
InChIInChI=1S/C24H31FN4O3/c25-19-8-6-18(7-9-19)21(27-22(30)14-17-4-2-1-3-5-17)15-20-16-23(31)28-24(26-20)29-10-12-32-13-11-29/h6-9,16-17,21H,1-5,10-15H2,(H,27,30)(H,26,28,31)/t21-/m1/s1
InChIKeySIYWITGXPNTYMI-OAQYLSRUSA-N
XLogP3.12
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.54
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[(1R)-1-(4-fluorophenyl)-2-(2-morpholin-4-yl-6-oxo-1H-pyrimidin-4-yl)ethyl]acetamide?
The IUPAC name of 2-cyclohexyl-N-[(1R)-1-(4-fluorophenyl)-2-(2-morpholin-4-yl-6-oxo-1H-pyrimidin-4-yl)ethyl]acetamide (CID 136681378) is 2-cyclohexyl-N-[(1R)-1-(4-fluorophenyl)-2-(2-morpholin-4-yl-6-oxo-1H-pyrimidin-4-yl)ethyl]acetamide.
What is the SMILES notation for 2-cyclohexyl-N-[(1R)-1-(4-fluorophenyl)-2-(2-morpholin-4-yl-6-oxo-1H-pyrimidin-4-yl)ethyl]acetamide?
The canonical SMILES for 2-cyclohexyl-N-[(1R)-1-(4-fluorophenyl)-2-(2-morpholin-4-yl-6-oxo-1H-pyrimidin-4-yl)ethyl]acetamide is O=C(CC1CCCCC1)N[C@H](Cc1cc(=O)[nH]c(N2CCOCC2)n1)c1ccc(F)cc1.
What is the InChIKey of 2-cyclohexyl-N-[(1R)-1-(4-fluorophenyl)-2-(2-morpholin-4-yl-6-oxo-1H-pyrimidin-4-yl)ethyl]acetamide?
The InChIKey is SIYWITGXPNTYMI-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H31FN4O3/c25-19-8-6-18(7-9-19)21(27-22(30)14-17-4-2-1-3-5-17)15-20-16-23(31)28-24(26-20)29-10-12-32-13-11-29/h6-9,16-17,21H,1-5,10-15H2,(H,27,30)(H,26,28,31)/t21-/m1/s1.
What are the key properties of 2-cyclohexyl-N-[(1R)-1-(4-fluorophenyl)-2-(2-morpholin-4-yl-6-oxo-1H-pyrimidin-4-yl)ethyl]acetamide?
2-cyclohexyl-N-[(1R)-1-(4-fluorophenyl)-2-(2-morpholin-4-yl-6-oxo-1H-pyrimidin-4-yl)ethyl]acetamide has a molecular weight of 442.54 g/mol, XLogP of 3.12, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[(1R)-1-(4-fluorophenyl)-2-(2-morpholin-4-yl-6-oxo-1H-pyrimidin-4-yl)ethyl]acetamide is sourced from PubChem (CID 136681378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).