2-morpholin-4-yl-N-(4-phenoxyphenyl)pyrimidine-4-carboxamide

C21H20N4O3 — CID 109300479

IUPAC2-morpholin-4-yl-N-(4-phenoxyphenyl)pyrimidine-4-carboxamide
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)c1ccnc(N2CCOCC2)n1
InChIInChI=1S/C21H20N4O3/c26-20(19-10-11-22-21(24-19)25-12-14-27-15-13-25)23-16-6-8-18(9-7-16)28-17-4-2-1-3-5-17/h1-11H,12-15H2,(H,23,26)
InChIKeyFNBLMRNEVWLPDQ-UHFFFAOYSA-N
MW376.42 g/mol
LogP3.36
Rot. Bonds5

About 2-morpholin-4-yl-N-(4-phenoxyphenyl)pyrimidine-4-carboxamide

2-morpholin-4-yl-N-(4-phenoxyphenyl)pyrimidine-4-carboxamide (PubChem CID 109300479) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is 2-morpholin-4-yl-N-(4-phenoxyphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-morpholin-4-yl-N-(4-phenoxyphenyl)pyrimidine-4-carboxamide
PubChem CID109300479
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC Name2-morpholin-4-yl-N-(4-phenoxyphenyl)pyrimidine-4-carboxamide
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)c1ccnc(N2CCOCC2)n1
InChIInChI=1S/C21H20N4O3/c26-20(19-10-11-22-21(24-19)25-12-14-27-15-13-25)23-16-6-8-18(9-7-16)28-17-4-2-1-3-5-17/h1-11H,12-15H2,(H,23,26)
InChIKeyFNBLMRNEVWLPDQ-UHFFFAOYSA-N
XLogP3.36
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109300438
methyl 4-[(2-morpholin-4-ylpyrimidine-4-carbonyl)amino]benzoate
CID 109300468
N-(4-tert-butylphenyl)-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109300433
4-methyl-2-morpholin-4-yl-N-(4-phenoxyphenyl)pyrimidine-5-carboxamide
CID 66504043
5-morpholin-4-yl-N-(4-phenoxyphenyl)pyridine-2-carboxamide
CID 109184886
N-(4-phenylmethoxyphenyl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109297617
N-(3,5-dimethylphenyl)-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109300420
N-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109300487
2-(4-methylpiperazin-1-yl)-N-phenylpyrimidine-4-carboxamide
CID 109302090
N-(1-methylbenzimidazol-2-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 139022042
6-morpholin-4-yl-N-(4-phenoxyphenyl)pyridine-3-carboxamide
CID 109153445
N-(4-methoxyphenyl)-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109299068

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-N-(4-phenoxyphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-morpholin-4-yl-N-(4-phenoxyphenyl)pyrimidine-4-carboxamide (CID 109300479) is 2-morpholin-4-yl-N-(4-phenoxyphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-morpholin-4-yl-N-(4-phenoxyphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-morpholin-4-yl-N-(4-phenoxyphenyl)pyrimidine-4-carboxamide is O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccnc(N2CCOCC2)n1.
What is the InChIKey of 2-morpholin-4-yl-N-(4-phenoxyphenyl)pyrimidine-4-carboxamide?
The InChIKey is FNBLMRNEVWLPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c26-20(19-10-11-22-21(24-19)25-12-14-27-15-13-25)23-16-6-8-18(9-7-16)28-17-4-2-1-3-5-17/h1-11H,12-15H2,(H,23,26).
What are the key properties of 2-morpholin-4-yl-N-(4-phenoxyphenyl)pyrimidine-4-carboxamide?
2-morpholin-4-yl-N-(4-phenoxyphenyl)pyrimidine-4-carboxamide has a molecular weight of 376.42 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-N-(4-phenoxyphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109300479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).