4-methyl-N-(4-morpholin-4-ylphenyl)-2-phenylpyrimidine-5-carboxamide

C22H22N4O2 — CID 57394982

IUPAC4-methyl-N-(4-morpholin-4-ylphenyl)-2-phenylpyrimidine-5-carboxamide
SMILESCc1nc(-c2ccccc2)ncc1C(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C22H22N4O2/c1-16-20(15-23-21(24-16)17-5-3-2-4-6-17)22(27)25-18-7-9-19(10-8-18)26-11-13-28-14-12-26/h2-10,15H,11-14H2,1H3,(H,25,27)
InChIKeyVUUMAMRHUGVWQE-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.54
Rot. Bonds4

About 4-methyl-N-(4-morpholin-4-ylphenyl)-2-phenylpyrimidine-5-carboxamide

4-methyl-N-(4-morpholin-4-ylphenyl)-2-phenylpyrimidine-5-carboxamide (PubChem CID 57394982) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 4-methyl-N-(4-morpholin-4-ylphenyl)-2-phenylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(4-morpholin-4-ylphenyl)-2-phenylpyrimidine-5-carboxamide
PubChem CID57394982
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name4-methyl-N-(4-morpholin-4-ylphenyl)-2-phenylpyrimidine-5-carboxamide
SMILESCc1nc(-c2ccccc2)ncc1C(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C22H22N4O2/c1-16-20(15-23-21(24-16)17-5-3-2-4-6-17)22(27)25-18-7-9-19(10-8-18)26-11-13-28-14-12-26/h2-10,15H,11-14H2,1H3,(H,25,27)
InChIKeyVUUMAMRHUGVWQE-UHFFFAOYSA-N
XLogP3.54
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(4-morpholin-4-ylphenyl)-2-phenylpyrimidine-5-carboxamide?
The IUPAC name of 4-methyl-N-(4-morpholin-4-ylphenyl)-2-phenylpyrimidine-5-carboxamide (CID 57394982) is 4-methyl-N-(4-morpholin-4-ylphenyl)-2-phenylpyrimidine-5-carboxamide.
What is the SMILES notation for 4-methyl-N-(4-morpholin-4-ylphenyl)-2-phenylpyrimidine-5-carboxamide?
The canonical SMILES for 4-methyl-N-(4-morpholin-4-ylphenyl)-2-phenylpyrimidine-5-carboxamide is Cc1nc(-c2ccccc2)ncc1C(=O)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 4-methyl-N-(4-morpholin-4-ylphenyl)-2-phenylpyrimidine-5-carboxamide?
The InChIKey is VUUMAMRHUGVWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-16-20(15-23-21(24-16)17-5-3-2-4-6-17)22(27)25-18-7-9-19(10-8-18)26-11-13-28-14-12-26/h2-10,15H,11-14H2,1H3,(H,25,27).
What are the key properties of 4-methyl-N-(4-morpholin-4-ylphenyl)-2-phenylpyrimidine-5-carboxamide?
4-methyl-N-(4-morpholin-4-ylphenyl)-2-phenylpyrimidine-5-carboxamide has a molecular weight of 374.44 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(4-morpholin-4-ylphenyl)-2-phenylpyrimidine-5-carboxamide is sourced from PubChem (CID 57394982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).