N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-4-phenoxybenzamide

C22H22N4O3 — CID 122318793

IUPACN-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-4-phenoxybenzamide
SMILESO=C(NCc1nccc(N2CCOCC2)n1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C22H22N4O3/c27-22(17-6-8-19(9-7-17)29-18-4-2-1-3-5-18)24-16-20-23-11-10-21(25-20)26-12-14-28-15-13-26/h1-11H,12-16H2,(H,24,27)
InChIKeyPORSRFWARVWVMP-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.04
Rot. Bonds6

About N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-4-phenoxybenzamide

N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-4-phenoxybenzamide (PubChem CID 122318793) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-4-phenoxybenzamide.

Molecular Properties

Compound NameN-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-4-phenoxybenzamide
PubChem CID122318793
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC NameN-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-4-phenoxybenzamide
SMILESO=C(NCc1nccc(N2CCOCC2)n1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C22H22N4O3/c27-22(17-6-8-19(9-7-17)29-18-4-2-1-3-5-18)24-16-20-23-11-10-21(25-20)26-12-14-28-15-13-26/h1-11H,12-16H2,(H,24,27)
InChIKeyPORSRFWARVWVMP-UHFFFAOYSA-N
XLogP3.04
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-fluorophenoxy)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide
CID 122318892
4-fluoro-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide
CID 91966739
N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]benzamide
CID 72717998
6-methoxy-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]pyridine-3-carboxamide
CID 122318877
N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-4-(trifluoromethoxy)benzamide
CID 122317464
2-methyl-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]propanamide
CID 72718086
2-bromo-5-methoxy-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide
CID 122318855
4-methyl-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-1,3-thiazole-5-carboxamide
CID 122318875
N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-4-oxochromene-2-carboxamide
CID 122318781
N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide
CID 91966835
N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 122318833
N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-2-phenylbutanamide
CID 72718115

Frequently Asked Questions

What is the IUPAC name of N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-4-phenoxybenzamide?
The IUPAC name of N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-4-phenoxybenzamide (CID 122318793) is N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-4-phenoxybenzamide.
What is the SMILES notation for N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-4-phenoxybenzamide?
The canonical SMILES for N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-4-phenoxybenzamide is O=C(NCc1nccc(N2CCOCC2)n1)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-4-phenoxybenzamide?
The InChIKey is PORSRFWARVWVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c27-22(17-6-8-19(9-7-17)29-18-4-2-1-3-5-18)24-16-20-23-11-10-21(25-20)26-12-14-28-15-13-26/h1-11H,12-16H2,(H,24,27).
What are the key properties of N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-4-phenoxybenzamide?
N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-4-phenoxybenzamide has a molecular weight of 390.44 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-4-phenoxybenzamide is sourced from PubChem (CID 122318793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).