N-[(1R)-1-cyclohexylethyl]-2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]pyrimidin-2-yl]acetamide

C26H36N4O3 — CID 59529223

IUPACN-[(1R)-1-cyclohexylethyl]-2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]pyrimidin-2-yl]acetamide
SMILESC[C@@H](NC(=O)Cc1ncc(-c2ccc(OCCN3CCOCC3)cc2)cn1)C1CCCCC1
InChIInChI=1S/C26H36N4O3/c1-20(21-5-3-2-4-6-21)29-26(31)17-25-27-18-23(19-28-25)22-7-9-24(10-8-22)33-16-13-30-11-14-32-15-12-30/h7-10,18-21H,2-6,11-17H2,1H3,(H,29,31)/t20-/m1/s1
InChIKeyPETBHFMLVKPFNK-HXUWFJFHSA-N
MW452.60 g/mol
LogP3.48
Rot. Bonds9

About N-[(1R)-1-cyclohexylethyl]-2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]pyrimidin-2-yl]acetamide

N-[(1R)-1-cyclohexylethyl]-2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]pyrimidin-2-yl]acetamide (PubChem CID 59529223) has the molecular formula C26H36N4O3 and a molecular weight of 452.60 g/mol. Its IUPAC name is N-[(1R)-1-cyclohexylethyl]-2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]pyrimidin-2-yl]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-cyclohexylethyl]-2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]pyrimidin-2-yl]acetamide
PubChem CID59529223
Molecular FormulaC26H36N4O3
Molecular Weight452.60 g/mol
Exact Mass452.28
IUPAC NameN-[(1R)-1-cyclohexylethyl]-2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]pyrimidin-2-yl]acetamide
SMILESC[C@@H](NC(=O)Cc1ncc(-c2ccc(OCCN3CCOCC3)cc2)cn1)C1CCCCC1
InChIInChI=1S/C26H36N4O3/c1-20(21-5-3-2-4-6-21)29-26(31)17-25-27-18-23(19-28-25)22-7-9-24(10-8-22)33-16-13-30-11-14-32-15-12-30/h7-10,18-21H,2-6,11-17H2,1H3,(H,29,31)/t20-/m1/s1
InChIKeyPETBHFMLVKPFNK-HXUWFJFHSA-N
XLogP3.48
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.60
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[3-[3-[(1R)-1-[[2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]pyrimidin-2-yl]acetyl]amino]ethyl]cyclohexyl]cyclopentyl]ethyl]-2-(4-pyridin-4-ylphenyl)acetamide
CID 145496381
N-[(1R)-1-cyclohexylethyl]-2-[5-(4-ethoxyphenyl)-6-(morpholin-4-ylmethyl)-2-pyridinyl]acetamide
CID 59529138
N-(2-cyclopentylethyl)-2-[6-[4-(2-morpholin-4-ylethoxy)phenyl]-3-pyridinyl]acetamide
CID 59529212
4-[2-[4-(6-ethyl-3-pyridinyl)phenoxy]ethyl]morpholine
CID 59845977
4-[2-(4-methylphenoxy)ethyl]morpholine;oxalic acid
CID 44827969
N-[(1R)-1-cyclohexylethyl]-2-(5-phenyl-2-pyridinyl)acetamide;molecular hydrogen;hydrate
CID 145496412
methane;methyl 2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]acetate;2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]acetonitrile
CID 157211397
N-(2-cyclopentylethyl)-2-[5-[4-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]acetamide;ethane
CID 145496383
1-[4-(2-morpholin-4-ylethoxy)phenyl]ethanol
CID 43503698
N-benzyl-5-[4-(2-morpholin-4-ylethoxy)phenyl]pyridine-2-carboxamide
CID 98007458
methane;4-[2-(4-methylphenoxy)ethyl]morpholine
CID 162149342
N-benzyl-5-[4-(2-morpholin-4-ylethoxy)phenyl]pyridine-2-carboxamide;dihydrochloride
CID 163320860

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyclohexylethyl]-2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]pyrimidin-2-yl]acetamide?
The IUPAC name of N-[(1R)-1-cyclohexylethyl]-2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]pyrimidin-2-yl]acetamide (CID 59529223) is N-[(1R)-1-cyclohexylethyl]-2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]pyrimidin-2-yl]acetamide.
What is the SMILES notation for N-[(1R)-1-cyclohexylethyl]-2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]pyrimidin-2-yl]acetamide?
The canonical SMILES for N-[(1R)-1-cyclohexylethyl]-2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]pyrimidin-2-yl]acetamide is C[C@@H](NC(=O)Cc1ncc(-c2ccc(OCCN3CCOCC3)cc2)cn1)C1CCCCC1.
What is the InChIKey of N-[(1R)-1-cyclohexylethyl]-2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]pyrimidin-2-yl]acetamide?
The InChIKey is PETBHFMLVKPFNK-HXUWFJFHSA-N. The full InChI is InChI=1S/C26H36N4O3/c1-20(21-5-3-2-4-6-21)29-26(31)17-25-27-18-23(19-28-25)22-7-9-24(10-8-22)33-16-13-30-11-14-32-15-12-30/h7-10,18-21H,2-6,11-17H2,1H3,(H,29,31)/t20-/m1/s1.
What are the key properties of N-[(1R)-1-cyclohexylethyl]-2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]pyrimidin-2-yl]acetamide?
N-[(1R)-1-cyclohexylethyl]-2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]pyrimidin-2-yl]acetamide has a molecular weight of 452.60 g/mol, XLogP of 3.48, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-cyclohexylethyl]-2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]pyrimidin-2-yl]acetamide is sourced from PubChem (CID 59529223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).