N-(3,5-dimethylphenyl)-6-morpholin-4-yl-2-phenylpyrimidine-4-carboxamide

C23H24N4O2 — CID 112853445

IUPACN-(3,5-dimethylphenyl)-6-morpholin-4-yl-2-phenylpyrimidine-4-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2cc(N3CCOCC3)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C23H24N4O2/c1-16-12-17(2)14-19(13-16)24-23(28)20-15-21(27-8-10-29-11-9-27)26-22(25-20)18-6-4-3-5-7-18/h3-7,12-15H,8-11H2,1-2H3,(H,24,28)
InChIKeyZEKCBQAGTOTNPQ-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.85
Rot. Bonds4

About N-(3,5-dimethylphenyl)-6-morpholin-4-yl-2-phenylpyrimidine-4-carboxamide

N-(3,5-dimethylphenyl)-6-morpholin-4-yl-2-phenylpyrimidine-4-carboxamide (PubChem CID 112853445) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-6-morpholin-4-yl-2-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-6-morpholin-4-yl-2-phenylpyrimidine-4-carboxamide
PubChem CID112853445
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC NameN-(3,5-dimethylphenyl)-6-morpholin-4-yl-2-phenylpyrimidine-4-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2cc(N3CCOCC3)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C23H24N4O2/c1-16-12-17(2)14-19(13-16)24-23(28)20-15-21(27-8-10-29-11-9-27)26-22(25-20)18-6-4-3-5-7-18/h3-7,12-15H,8-11H2,1-2H3,(H,24,28)
InChIKeyZEKCBQAGTOTNPQ-UHFFFAOYSA-N
XLogP3.85
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-acetylphenyl)-6-morpholin-4-yl-2-phenylpyrimidine-4-carboxamide
CID 58148531
6-morpholin-4-yl-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 112851592
2-methyl-6-morpholin-4-yl-N-phenylpyrimidine-4-carboxamide
CID 109365407
N-[(2-methylphenyl)methyl]-6-morpholin-4-yl-2-phenylpyrimidine-4-carboxamide
CID 112853415
6-(4-methylpiperidin-1-yl)-N,2-diphenylpyrimidine-4-carboxamide
CID 112853043
N-(3-acetylphenyl)-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 112852692
N-(2-methylphenyl)-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 112852671
2-(4-aminophenyl)-6-morpholin-4-ylpyrimidine-4-carboxylic acid
CID 143633269
N-(4-methylphenyl)-6-morpholin-4-yl-2-phenylpyrimidin-4-amine
CID 112880543
[6-(azepan-1-yl)-2-phenylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 112853497
N-(3,5-dimethylphenyl)-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109300420
6-morpholin-4-yl-2-pyridin-4-ylpyrimidine-4-carboxylic acid
CID 82170295

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-6-morpholin-4-yl-2-phenylpyrimidine-4-carboxamide?
The IUPAC name of N-(3,5-dimethylphenyl)-6-morpholin-4-yl-2-phenylpyrimidine-4-carboxamide (CID 112853445) is N-(3,5-dimethylphenyl)-6-morpholin-4-yl-2-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-6-morpholin-4-yl-2-phenylpyrimidine-4-carboxamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-6-morpholin-4-yl-2-phenylpyrimidine-4-carboxamide is Cc1cc(C)cc(NC(=O)c2cc(N3CCOCC3)nc(-c3ccccc3)n2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-6-morpholin-4-yl-2-phenylpyrimidine-4-carboxamide?
The InChIKey is ZEKCBQAGTOTNPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-16-12-17(2)14-19(13-16)24-23(28)20-15-21(27-8-10-29-11-9-27)26-22(25-20)18-6-4-3-5-7-18/h3-7,12-15H,8-11H2,1-2H3,(H,24,28).
What are the key properties of N-(3,5-dimethylphenyl)-6-morpholin-4-yl-2-phenylpyrimidine-4-carboxamide?
N-(3,5-dimethylphenyl)-6-morpholin-4-yl-2-phenylpyrimidine-4-carboxamide has a molecular weight of 388.47 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-6-morpholin-4-yl-2-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 112853445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).