2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-4-phenoxypyrimidine-5-carboxamide

C24H26N4O4 — CID 42670493

IUPAC2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-4-phenoxypyrimidine-5-carboxamide
SMILESCOc1ccc(-c2ncc(C(=O)NCCN3CCOCC3)c(Oc3ccccc3)n2)cc1
InChIInChI=1S/C24H26N4O4/c1-30-19-9-7-18(8-10-19)22-26-17-21(24(27-22)32-20-5-3-2-4-6-20)23(29)25-11-12-28-13-15-31-16-14-28/h2-10,17H,11-16H2,1H3,(H,25,29)
InChIKeyAOCWTKLZCOYXLO-UHFFFAOYSA-N
MW434.50 g/mol
LogP3.01
Rot. Bonds8

About 2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-4-phenoxypyrimidine-5-carboxamide

2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-4-phenoxypyrimidine-5-carboxamide (PubChem CID 42670493) has the molecular formula C24H26N4O4 and a molecular weight of 434.50 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-4-phenoxypyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-4-phenoxypyrimidine-5-carboxamide
PubChem CID42670493
Molecular FormulaC24H26N4O4
Molecular Weight434.50 g/mol
Exact Mass434.20
IUPAC Name2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-4-phenoxypyrimidine-5-carboxamide
SMILESCOc1ccc(-c2ncc(C(=O)NCCN3CCOCC3)c(Oc3ccccc3)n2)cc1
InChIInChI=1S/C24H26N4O4/c1-30-19-9-7-18(8-10-19)22-26-17-21(24(27-22)32-20-5-3-2-4-6-20)23(29)25-11-12-28-13-15-31-16-14-28/h2-10,17H,11-16H2,1H3,(H,25,29)
InChIKeyAOCWTKLZCOYXLO-UHFFFAOYSA-N
XLogP3.01
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-morpholin-4-ylethyl)-2-phenyl-4-(3-propan-2-ylphenoxy)pyrimidine-5-carboxamide
CID 42670198
4-[ethyl(methyl)amino]-N-(2-morpholin-4-ylethyl)-2-phenylpyrimidine-5-carboxamide
CID 42673443
5-(4-methoxyphenyl)-2-methyl-N-(2-morpholin-4-ylethyl)-1-phenylpyrrole-3-carboxamide
CID 42785508
5-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide
CID 117088063
5-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 25176838
2-fluoro-4-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)benzamide
CID 154794863
2-(4-methoxyphenyl)-3-methyl-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide
CID 1220212
4-methoxy-2-[4-(2-methylphenyl)piperazin-1-yl]-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide
CID 42847731
6-[(4-methoxyphenyl)methylamino]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide
CID 109154112
2,5-dimethoxy-N-(2-morpholin-4-ylethyl)benzamide
CID 51072890
2-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-4-piperidin-1-ylpyrimidine-5-carboxamide
CID 42673835
5-(3-methoxyphenyl)-2-methyl-N-(2-morpholin-4-ylethyl)-1-phenylpyrrole-3-carboxamide
CID 7347913

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-4-phenoxypyrimidine-5-carboxamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-4-phenoxypyrimidine-5-carboxamide (CID 42670493) is 2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-4-phenoxypyrimidine-5-carboxamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-4-phenoxypyrimidine-5-carboxamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-4-phenoxypyrimidine-5-carboxamide is COc1ccc(-c2ncc(C(=O)NCCN3CCOCC3)c(Oc3ccccc3)n2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-4-phenoxypyrimidine-5-carboxamide?
The InChIKey is AOCWTKLZCOYXLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4/c1-30-19-9-7-18(8-10-19)22-26-17-21(24(27-22)32-20-5-3-2-4-6-20)23(29)25-11-12-28-13-15-31-16-14-28/h2-10,17H,11-16H2,1H3,(H,25,29).
What are the key properties of 2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-4-phenoxypyrimidine-5-carboxamide?
2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-4-phenoxypyrimidine-5-carboxamide has a molecular weight of 434.50 g/mol, XLogP of 3.01, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-4-phenoxypyrimidine-5-carboxamide is sourced from PubChem (CID 42670493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).