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

C23H30N6O5 — CID 11634188

IUPACN-(2-acetamidophenyl)-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide
SMILESCC(=O)Nc1ccccc1NC(=O)c1cc(OCCN2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C23H30N6O5/c1-17(30)24-18-4-2-3-5-19(18)25-22(31)20-16-21(34-15-8-28-6-11-32-12-7-28)27-23(26-20)29-9-13-33-14-10-29/h2-5,16H,6-15H2,1H3,(H,24,30)(H,25,31)
InChIKeyOWNHAPSAPRZUOI-UHFFFAOYSA-N
MW470.53 g/mol
LogP1.23
Rot. Bonds8

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

N-(2-acetamidophenyl)-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide (PubChem CID 11634188) has the molecular formula C23H30N6O5 and a molecular weight of 470.53 g/mol. Its IUPAC name is N-(2-acetamidophenyl)-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-acetamidophenyl)-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide
PubChem CID11634188
Molecular FormulaC23H30N6O5
Molecular Weight470.53 g/mol
Exact Mass470.23
IUPAC NameN-(2-acetamidophenyl)-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide
SMILESCC(=O)Nc1ccccc1NC(=O)c1cc(OCCN2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C23H30N6O5/c1-17(30)24-18-4-2-3-5-19(18)25-22(31)20-16-21(34-15-8-28-6-11-32-12-7-28)27-23(26-20)29-9-13-33-14-10-29/h2-5,16H,6-15H2,1H3,(H,24,30)(H,25,31)
InChIKeyOWNHAPSAPRZUOI-UHFFFAOYSA-N
XLogP1.23
TPSA118.15 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.53
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

N-(3-chlorophenyl)-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide
CID 59258759
N-(3-bromophenyl)-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide
CID 11620156
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-[3-[methyl(propan-2-yl)amino]phenyl]-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide
CID 59258746
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
N-(2,3-dimethyl-1H-indol-5-yl)-2-morpholin-4-yl-6-(2-piperazin-1-ylethoxy)pyrimidine-4-carboxamide
CID 59258559
1-(4-methylphenyl)-3-[2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]urea
CID 11583059
2-acetamido-N-[2-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazole-4-carboxamide
CID 92550749
1-(3-methylphenyl)-3-[2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]urea
CID 11711913
N-(4-methyl-2-pyridinyl)-2-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)pyrimidine-4-carboxamide
CID 11697447

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidophenyl)-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide?
The IUPAC name of N-(2-acetamidophenyl)-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide (CID 11634188) is N-(2-acetamidophenyl)-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-acetamidophenyl)-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2-acetamidophenyl)-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide is CC(=O)Nc1ccccc1NC(=O)c1cc(OCCN2CCOCC2)nc(N2CCOCC2)n1.
What is the InChIKey of N-(2-acetamidophenyl)-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide?
The InChIKey is OWNHAPSAPRZUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O5/c1-17(30)24-18-4-2-3-5-19(18)25-22(31)20-16-21(34-15-8-28-6-11-32-12-7-28)27-23(26-20)29-9-13-33-14-10-29/h2-5,16H,6-15H2,1H3,(H,24,30)(H,25,31).
What are the key properties of N-(2-acetamidophenyl)-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide?
N-(2-acetamidophenyl)-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide has a molecular weight of 470.53 g/mol, XLogP of 1.23, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidophenyl)-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide is sourced from PubChem (CID 11634188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).