N-[(2-methylphenyl)methyl]-6-morpholin-4-yl-2-phenylpyrimidine-4-carboxamide

C23H24N4O2 — CID 112853415

IUPACN-[(2-methylphenyl)methyl]-6-morpholin-4-yl-2-phenylpyrimidine-4-carboxamide
SMILESCc1ccccc1CNC(=O)c1cc(N2CCOCC2)nc(-c2ccccc2)n1
InChIInChI=1S/C23H24N4O2/c1-17-7-5-6-10-19(17)16-24-23(28)20-15-21(27-11-13-29-14-12-27)26-22(25-20)18-8-3-2-4-9-18/h2-10,15H,11-14,16H2,1H3,(H,24,28)
InChIKeyNRHJTSHKBJFVGT-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.22
Rot. Bonds5

About N-[(2-methylphenyl)methyl]-6-morpholin-4-yl-2-phenylpyrimidine-4-carboxamide

N-[(2-methylphenyl)methyl]-6-morpholin-4-yl-2-phenylpyrimidine-4-carboxamide (PubChem CID 112853415) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]-6-morpholin-4-yl-2-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]-6-morpholin-4-yl-2-phenylpyrimidine-4-carboxamide
PubChem CID112853415
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC NameN-[(2-methylphenyl)methyl]-6-morpholin-4-yl-2-phenylpyrimidine-4-carboxamide
SMILESCc1ccccc1CNC(=O)c1cc(N2CCOCC2)nc(-c2ccccc2)n1
InChIInChI=1S/C23H24N4O2/c1-17-7-5-6-10-19(17)16-24-23(28)20-15-21(27-11-13-29-14-12-27)26-22(25-20)18-8-3-2-4-9-18/h2-10,15H,11-14,16H2,1H3,(H,24,28)
InChIKeyNRHJTSHKBJFVGT-UHFFFAOYSA-N
XLogP3.22
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[(2-methylphenyl)methyl]-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109365345
6-morpholin-4-yl-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 112851592
N-(3,5-dimethylphenyl)-6-morpholin-4-yl-2-phenylpyrimidine-4-carboxamide
CID 112853445
6-(azepan-1-yl)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109368644
N-(2-acetylphenyl)-6-morpholin-4-yl-2-phenylpyrimidine-4-carboxamide
CID 58148531
N-benzyl-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 112852636
N-[(2-methoxyphenyl)methyl]-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109365354
N-[(2-methylphenyl)methyl]-3-(2-morpholin-4-yl-4-pyridinyl)-1,2,4-oxadiazole-5-carboxamide
CID 53175231
N-(furan-2-ylmethyl)-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidine-4-carboxamide
CID 112853775
N-[(2-methylphenyl)methyl]-5-morpholin-4-ylpyridine-3-carboxamide
CID 109228561
N-[(4-methoxyphenyl)methyl]-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 112852647
N-(2-methylphenyl)-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 112852671

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]-6-morpholin-4-yl-2-phenylpyrimidine-4-carboxamide?
The IUPAC name of N-[(2-methylphenyl)methyl]-6-morpholin-4-yl-2-phenylpyrimidine-4-carboxamide (CID 112853415) is N-[(2-methylphenyl)methyl]-6-morpholin-4-yl-2-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for N-[(2-methylphenyl)methyl]-6-morpholin-4-yl-2-phenylpyrimidine-4-carboxamide?
The canonical SMILES for N-[(2-methylphenyl)methyl]-6-morpholin-4-yl-2-phenylpyrimidine-4-carboxamide is Cc1ccccc1CNC(=O)c1cc(N2CCOCC2)nc(-c2ccccc2)n1.
What is the InChIKey of N-[(2-methylphenyl)methyl]-6-morpholin-4-yl-2-phenylpyrimidine-4-carboxamide?
The InChIKey is NRHJTSHKBJFVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-17-7-5-6-10-19(17)16-24-23(28)20-15-21(27-11-13-29-14-12-27)26-22(25-20)18-8-3-2-4-9-18/h2-10,15H,11-14,16H2,1H3,(H,24,28).
What are the key properties of N-[(2-methylphenyl)methyl]-6-morpholin-4-yl-2-phenylpyrimidine-4-carboxamide?
N-[(2-methylphenyl)methyl]-6-morpholin-4-yl-2-phenylpyrimidine-4-carboxamide has a molecular weight of 388.47 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)methyl]-6-morpholin-4-yl-2-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 112853415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).