N-(3-chlorophenyl)-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide

C21H26ClN5O4 — CID 59258759

IUPACN-(3-chlorophenyl)-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1cc(OCCN2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C21H26ClN5O4/c22-16-2-1-3-17(14-16)23-20(28)18-15-19(31-13-6-26-4-9-29-10-5-26)25-21(24-18)27-7-11-30-12-8-27/h1-3,14-15H,4-13H2,(H,23,28)
InChIKeyQGJFBZXGEGSUIB-UHFFFAOYSA-N
MW447.92 g/mol
LogP1.93
Rot. Bonds7

About N-(3-chlorophenyl)-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide

N-(3-chlorophenyl)-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide (PubChem CID 59258759) has the molecular formula C21H26ClN5O4 and a molecular weight of 447.92 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide
PubChem CID59258759
Molecular FormulaC21H26ClN5O4
Molecular Weight447.92 g/mol
Exact Mass447.17
IUPAC NameN-(3-chlorophenyl)-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1cc(OCCN2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C21H26ClN5O4/c22-16-2-1-3-17(14-16)23-20(28)18-15-19(31-13-6-26-4-9-29-10-5-26)25-21(24-18)27-7-11-30-12-8-27/h1-3,14-15H,4-13H2,(H,23,28)
InChIKeyQGJFBZXGEGSUIB-UHFFFAOYSA-N
XLogP1.93
TPSA89.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.92
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(3-bromophenyl)-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide
CID 11620156
N-[3-[methyl(propan-2-yl)amino]phenyl]-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide
CID 59258746
N-[3-[2-(methoxyamino)ethenyl]phenyl]-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide
CID 91415700
N-[3-[(Z)-N-(dimethylamino)-C-methylcarbonimidoyl]phenyl]-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide
CID 87482089
N-(2-acetamidophenyl)-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide
CID 11634188
N'-(3-methylphenyl)-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carbohydrazide
CID 58808808
2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-N-(1,2,3,4-tetrahydroquinolin-7-yl)pyrimidine-4-carboxamide
CID 59258524
1-(3-chlorophenyl)-3-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]urea
CID 84559837
1-(3-methylphenyl)-3-[2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]urea
CID 11711913
N-(2,3-dimethyl-1H-indol-5-yl)-2-morpholin-4-yl-6-(2-piperazin-1-ylethoxy)pyrimidine-4-carboxamide
CID 59258559
1-(3-cyanophenyl)-3-[2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]urea
CID 59258635
1-(4-chlorophenyl)-3-[6-(2-morpholin-4-ylethoxy)-2-piperidin-1-ylpyrimidin-4-yl]urea
CID 71193790

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide (CID 59258759) is N-(3-chlorophenyl)-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide is O=C(Nc1cccc(Cl)c1)c1cc(OCCN2CCOCC2)nc(N2CCOCC2)n1.
What is the InChIKey of N-(3-chlorophenyl)-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide?
The InChIKey is QGJFBZXGEGSUIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN5O4/c22-16-2-1-3-17(14-16)23-20(28)18-15-19(31-13-6-26-4-9-29-10-5-26)25-21(24-18)27-7-11-30-12-8-27/h1-3,14-15H,4-13H2,(H,23,28).
What are the key properties of N-(3-chlorophenyl)-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide?
N-(3-chlorophenyl)-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide has a molecular weight of 447.92 g/mol, XLogP of 1.93, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide is sourced from PubChem (CID 59258759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).