N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-4-morpholin-4-ylbenzamide

C21H25ClN4O3 — CID 90633915

IUPACN-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-4-morpholin-4-ylbenzamide
SMILESO=C(NC1CCC(Oc2ncc(Cl)cn2)CC1)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C21H25ClN4O3/c22-16-13-23-21(24-14-16)29-19-7-3-17(4-8-19)25-20(27)15-1-5-18(6-2-15)26-9-11-28-12-10-26/h1-2,5-6,13-14,17,19H,3-4,7-12H2,(H,25,27)
InChIKeyYNZDCUHSCFXYAN-UHFFFAOYSA-N
MW416.91 g/mol
LogP3.09
Rot. Bonds5

About N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-4-morpholin-4-ylbenzamide

N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-4-morpholin-4-ylbenzamide (PubChem CID 90633915) has the molecular formula C21H25ClN4O3 and a molecular weight of 416.91 g/mol. Its IUPAC name is N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-4-morpholin-4-ylbenzamide.

Molecular Properties

Compound NameN-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-4-morpholin-4-ylbenzamide
PubChem CID90633915
Molecular FormulaC21H25ClN4O3
Molecular Weight416.91 g/mol
Exact Mass416.16
IUPAC NameN-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-4-morpholin-4-ylbenzamide
SMILESO=C(NC1CCC(Oc2ncc(Cl)cn2)CC1)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C21H25ClN4O3/c22-16-13-23-21(24-14-16)29-19-7-3-17(4-8-19)25-20(27)15-1-5-18(6-2-15)26-9-11-28-12-10-26/h1-2,5-6,13-14,17,19H,3-4,7-12H2,(H,25,27)
InChIKeyYNZDCUHSCFXYAN-UHFFFAOYSA-N
XLogP3.09
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.91
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]benzamide
CID 90633673
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-3,4-difluorobenzamide
CID 90633706
[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-(4-morpholin-4-ylphenyl)methanone
CID 122243582
N-cyclopropyl-5-morpholin-4-ylpyridine-2-carboxamide
CID 109179845
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-3,4,5-triethoxybenzamide
CID 90633694
3-bromo-N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]benzamide
CID 90633702
5-chloro-N-[4-[(7-morpholin-4-yl-1,6-naphthyridin-5-yl)oxy]cyclohexyl]pyrimidine-2-carboxamide
CID 165112805
5-chloro-N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]thiophene-2-carboxamide
CID 90633833
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-2-fluorobenzamide
CID 90633695
N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]morpholine-4-carboxamide
CID 91626436
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-3-(trifluoromethoxy)benzamide
CID 90633900
N-cyclopropyl-4-piperidin-1-ylbenzamide
CID 21368345

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-4-morpholin-4-ylbenzamide?
The IUPAC name of N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-4-morpholin-4-ylbenzamide (CID 90633915) is N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-4-morpholin-4-ylbenzamide.
What is the SMILES notation for N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-4-morpholin-4-ylbenzamide?
The canonical SMILES for N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-4-morpholin-4-ylbenzamide is O=C(NC1CCC(Oc2ncc(Cl)cn2)CC1)c1ccc(N2CCOCC2)cc1.
What is the InChIKey of N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-4-morpholin-4-ylbenzamide?
The InChIKey is YNZDCUHSCFXYAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN4O3/c22-16-13-23-21(24-14-16)29-19-7-3-17(4-8-19)25-20(27)15-1-5-18(6-2-15)26-9-11-28-12-10-26/h1-2,5-6,13-14,17,19H,3-4,7-12H2,(H,25,27).
What are the key properties of N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-4-morpholin-4-ylbenzamide?
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-4-morpholin-4-ylbenzamide has a molecular weight of 416.91 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-4-morpholin-4-ylbenzamide is sourced from PubChem (CID 90633915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).