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

C21H20N4O3 — CID 109252305

IUPAC2-morpholin-4-yl-N-(2-phenoxyphenyl)pyrimidine-5-carboxamide
SMILESO=C(Nc1ccccc1Oc1ccccc1)c1cnc(N2CCOCC2)nc1
InChIInChI=1S/C21H20N4O3/c26-20(16-14-22-21(23-15-16)25-10-12-27-13-11-25)24-18-8-4-5-9-19(18)28-17-6-2-1-3-7-17/h1-9,14-15H,10-13H2,(H,24,26)
InChIKeyQSTSLLXIHCNDCV-UHFFFAOYSA-N
MW376.42 g/mol
LogP3.36
Rot. Bonds5

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

2-morpholin-4-yl-N-(2-phenoxyphenyl)pyrimidine-5-carboxamide (PubChem CID 109252305) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is 2-morpholin-4-yl-N-(2-phenoxyphenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-morpholin-4-yl-N-(2-phenoxyphenyl)pyrimidine-5-carboxamide
PubChem CID109252305
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC Name2-morpholin-4-yl-N-(2-phenoxyphenyl)pyrimidine-5-carboxamide
SMILESO=C(Nc1ccccc1Oc1ccccc1)c1cnc(N2CCOCC2)nc1
InChIInChI=1S/C21H20N4O3/c26-20(16-14-22-21(23-15-16)25-10-12-27-13-11-25)24-18-8-4-5-9-19(18)28-17-6-2-1-3-7-17/h1-9,14-15H,10-13H2,(H,24,26)
InChIKeyQSTSLLXIHCNDCV-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

2-morpholin-4-yl-N-(2-prop-2-enoxyphenyl)pyrimidine-5-carboxamide
CID 16677947
methyl 2-[(2-morpholin-4-ylpyrimidine-5-carbonyl)amino]benzoate
CID 109252285
2-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylphenyl)pyrimidine-5-carboxamide
CID 109253956
N-(2-propan-2-yloxyphenyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 109249470
N-(2-ethoxyphenyl)-2-(4-formylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109254553
6-morpholin-4-yl-N-(4-phenoxyphenyl)pyridine-3-carboxamide
CID 109153445
N-(2-phenoxyphenyl)-2-pyrrolidin-1-ylpyridine-4-carboxamide
CID 109166024
2-(4-acetylpiperazin-1-yl)-N-(2-propan-2-yloxyphenyl)pyrimidine-5-carboxamide
CID 109254832
2-morpholin-4-yl-5-nitro-N-(2-phenoxyphenyl)benzamide
CID 5037290
4-iodo-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide
CID 122299046
4-phenoxy-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide
CID 122298612
4-methoxy-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide
CID 53164846

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-N-(2-phenoxyphenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-morpholin-4-yl-N-(2-phenoxyphenyl)pyrimidine-5-carboxamide (CID 109252305) is 2-morpholin-4-yl-N-(2-phenoxyphenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-morpholin-4-yl-N-(2-phenoxyphenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-morpholin-4-yl-N-(2-phenoxyphenyl)pyrimidine-5-carboxamide is O=C(Nc1ccccc1Oc1ccccc1)c1cnc(N2CCOCC2)nc1.
What is the InChIKey of 2-morpholin-4-yl-N-(2-phenoxyphenyl)pyrimidine-5-carboxamide?
The InChIKey is QSTSLLXIHCNDCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c26-20(16-14-22-21(23-15-16)25-10-12-27-13-11-25)24-18-8-4-5-9-19(18)28-17-6-2-1-3-7-17/h1-9,14-15H,10-13H2,(H,24,26).
What are the key properties of 2-morpholin-4-yl-N-(2-phenoxyphenyl)pyrimidine-5-carboxamide?
2-morpholin-4-yl-N-(2-phenoxyphenyl)pyrimidine-5-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-(2-phenoxyphenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109252305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).