4-methyl-2-morpholin-4-yl-N-(4-phenoxyphenyl)pyrimidine-5-carboxamide

C22H22N4O3 — CID 66504043

IUPAC4-methyl-2-morpholin-4-yl-N-(4-phenoxyphenyl)pyrimidine-5-carboxamide
SMILESCc1nc(N2CCOCC2)ncc1C(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C22H22N4O3/c1-16-20(15-23-22(24-16)26-11-13-28-14-12-26)21(27)25-17-7-9-19(10-8-17)29-18-5-3-2-4-6-18/h2-10,15H,11-14H2,1H3,(H,25,27)
InChIKeyUTJNKRJYFOQZCQ-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.67
Rot. Bonds5

About 4-methyl-2-morpholin-4-yl-N-(4-phenoxyphenyl)pyrimidine-5-carboxamide

4-methyl-2-morpholin-4-yl-N-(4-phenoxyphenyl)pyrimidine-5-carboxamide (PubChem CID 66504043) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is 4-methyl-2-morpholin-4-yl-N-(4-phenoxyphenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-methyl-2-morpholin-4-yl-N-(4-phenoxyphenyl)pyrimidine-5-carboxamide
PubChem CID66504043
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC Name4-methyl-2-morpholin-4-yl-N-(4-phenoxyphenyl)pyrimidine-5-carboxamide
SMILESCc1nc(N2CCOCC2)ncc1C(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C22H22N4O3/c1-16-20(15-23-22(24-16)26-11-13-28-14-12-26)21(27)25-17-7-9-19(10-8-17)29-18-5-3-2-4-6-18/h2-10,15H,11-14H2,1H3,(H,25,27)
InChIKeyUTJNKRJYFOQZCQ-UHFFFAOYSA-N
XLogP3.67
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-2-morpholin-4-yl-N-phenylpyrimidine-5-carboxamide
CID 66504097
4-methyl-2-morpholin-4-yl-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 66504104
2-morpholin-4-yl-N-(4-phenoxyphenyl)pyrimidine-4-carboxamide
CID 109300479
4-methyl-2-morpholin-4-yl-N-(4-nitrophenyl)pyrimidine-5-carboxamide
CID 66504049
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 66504338
N-(3-fluorophenyl)-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 66504121
N-(3-chloro-4-fluorophenyl)-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 66504421
5-morpholin-4-yl-N-(4-phenoxyphenyl)pyridine-2-carboxamide
CID 109184886
6-morpholin-4-yl-N-(4-phenoxyphenyl)pyridine-3-carboxamide
CID 109153445
N-[4-(4-methoxyphenoxy)phenyl]-2-morpholin-4-ylbenzamide
CID 131937049
N-(4-hydroxyphenyl)-4-methyl-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 66504155
N-(4-morpholin-4-ylphenyl)-2-phenoxybenzamide
CID 8961117

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-morpholin-4-yl-N-(4-phenoxyphenyl)pyrimidine-5-carboxamide?
The IUPAC name of 4-methyl-2-morpholin-4-yl-N-(4-phenoxyphenyl)pyrimidine-5-carboxamide (CID 66504043) is 4-methyl-2-morpholin-4-yl-N-(4-phenoxyphenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 4-methyl-2-morpholin-4-yl-N-(4-phenoxyphenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 4-methyl-2-morpholin-4-yl-N-(4-phenoxyphenyl)pyrimidine-5-carboxamide is Cc1nc(N2CCOCC2)ncc1C(=O)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 4-methyl-2-morpholin-4-yl-N-(4-phenoxyphenyl)pyrimidine-5-carboxamide?
The InChIKey is UTJNKRJYFOQZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-16-20(15-23-22(24-16)26-11-13-28-14-12-26)21(27)25-17-7-9-19(10-8-17)29-18-5-3-2-4-6-18/h2-10,15H,11-14H2,1H3,(H,25,27).
What are the key properties of 4-methyl-2-morpholin-4-yl-N-(4-phenoxyphenyl)pyrimidine-5-carboxamide?
4-methyl-2-morpholin-4-yl-N-(4-phenoxyphenyl)pyrimidine-5-carboxamide has a molecular weight of 390.44 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-morpholin-4-yl-N-(4-phenoxyphenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 66504043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).