2-(2-chlorophenoxy)-N-(6-morpholin-4-ylpyrimidin-4-yl)propanamide

C17H19ClN4O3 — CID 90544210

IUPAC2-(2-chlorophenoxy)-N-(6-morpholin-4-ylpyrimidin-4-yl)propanamide
SMILESCC(Oc1ccccc1Cl)C(=O)Nc1cc(N2CCOCC2)ncn1
InChIInChI=1S/C17H19ClN4O3/c1-12(25-14-5-3-2-4-13(14)18)17(23)21-15-10-16(20-11-19-15)22-6-8-24-9-7-22/h2-5,10-12H,6-9H2,1H3,(H,19,20,21,23)
InChIKeyDRBYSNRXCUEKPI-UHFFFAOYSA-N
MW362.82 g/mol
LogP2.37
Rot. Bonds5

About 2-(2-chlorophenoxy)-N-(6-morpholin-4-ylpyrimidin-4-yl)propanamide

2-(2-chlorophenoxy)-N-(6-morpholin-4-ylpyrimidin-4-yl)propanamide (PubChem CID 90544210) has the molecular formula C17H19ClN4O3 and a molecular weight of 362.82 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-(6-morpholin-4-ylpyrimidin-4-yl)propanamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-(6-morpholin-4-ylpyrimidin-4-yl)propanamide
PubChem CID90544210
Molecular FormulaC17H19ClN4O3
Molecular Weight362.82 g/mol
Exact Mass362.11
IUPAC Name2-(2-chlorophenoxy)-N-(6-morpholin-4-ylpyrimidin-4-yl)propanamide
SMILESCC(Oc1ccccc1Cl)C(=O)Nc1cc(N2CCOCC2)ncn1
InChIInChI=1S/C17H19ClN4O3/c1-12(25-14-5-3-2-4-13(14)18)17(23)21-15-10-16(20-11-19-15)22-6-8-24-9-7-22/h2-5,10-12H,6-9H2,1H3,(H,19,20,21,23)
InChIKeyDRBYSNRXCUEKPI-UHFFFAOYSA-N
XLogP2.37
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.82
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-chlorophenyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)acetamide
CID 71794834
2-chloro-N-(6-morpholin-4-ylpyrimidin-4-yl)benzamide
CID 90544108
2-(2-chlorophenoxy)-N-(2-morpholin-4-ylphenyl)propanamide
CID 134037929
2-(2-chlorophenoxy)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]propanamide
CID 46581557
N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-2-phenoxypropanamide
CID 90543811
2-(2-chlorophenoxy)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide
CID 42953030
2-(2-chlorophenoxy)-N-(4-methyl-2-pyridinyl)propanamide
CID 46581275
2-(2-chlorophenoxy)-N-[(4-morpholin-4-ylphenyl)methyl]propanamide
CID 53282971
2-(2,5-dimethylphenoxy)-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]propanamide
CID 90543818
2-(2,4-dichlorophenoxy)-N-(6-morpholin-4-ylpyrimidin-4-yl)acetamide
CID 90544150
N-(6-morpholin-4-ylpyrimidin-4-yl)-3-phenylpropanamide
CID 90544169
1-(6-morpholin-4-ylpyrimidin-4-yl)-3-naphthalen-1-ylurea
CID 701189

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-(6-morpholin-4-ylpyrimidin-4-yl)propanamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-(6-morpholin-4-ylpyrimidin-4-yl)propanamide (CID 90544210) is 2-(2-chlorophenoxy)-N-(6-morpholin-4-ylpyrimidin-4-yl)propanamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-(6-morpholin-4-ylpyrimidin-4-yl)propanamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-(6-morpholin-4-ylpyrimidin-4-yl)propanamide is CC(Oc1ccccc1Cl)C(=O)Nc1cc(N2CCOCC2)ncn1.
What is the InChIKey of 2-(2-chlorophenoxy)-N-(6-morpholin-4-ylpyrimidin-4-yl)propanamide?
The InChIKey is DRBYSNRXCUEKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O3/c1-12(25-14-5-3-2-4-13(14)18)17(23)21-15-10-16(20-11-19-15)22-6-8-24-9-7-22/h2-5,10-12H,6-9H2,1H3,(H,19,20,21,23).
What are the key properties of 2-(2-chlorophenoxy)-N-(6-morpholin-4-ylpyrimidin-4-yl)propanamide?
2-(2-chlorophenoxy)-N-(6-morpholin-4-ylpyrimidin-4-yl)propanamide has a molecular weight of 362.82 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-(6-morpholin-4-ylpyrimidin-4-yl)propanamide is sourced from PubChem (CID 90544210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).