N-benzyl-N-methyl-4-(4-methylphenoxy)-2-phenylpyrimidine-5-carboxamide

C26H23N3O2 — CID 42670112

IUPACN-benzyl-N-methyl-4-(4-methylphenoxy)-2-phenylpyrimidine-5-carboxamide
SMILESCc1ccc(Oc2nc(-c3ccccc3)ncc2C(=O)N(C)Cc2ccccc2)cc1
InChIInChI=1S/C26H23N3O2/c1-19-13-15-22(16-14-19)31-25-23(17-27-24(28-25)21-11-7-4-8-12-21)26(30)29(2)18-20-9-5-3-6-10-20/h3-17H,18H2,1-2H3
InChIKeyWGOMCVDNWAAJEY-UHFFFAOYSA-N
MW409.49 g/mol
LogP5.52
Rot. Bonds6

About N-benzyl-N-methyl-4-(4-methylphenoxy)-2-phenylpyrimidine-5-carboxamide

N-benzyl-N-methyl-4-(4-methylphenoxy)-2-phenylpyrimidine-5-carboxamide (PubChem CID 42670112) has the molecular formula C26H23N3O2 and a molecular weight of 409.49 g/mol. Its IUPAC name is N-benzyl-N-methyl-4-(4-methylphenoxy)-2-phenylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-4-(4-methylphenoxy)-2-phenylpyrimidine-5-carboxamide
PubChem CID42670112
Molecular FormulaC26H23N3O2
Molecular Weight409.49 g/mol
Exact Mass409.18
IUPAC NameN-benzyl-N-methyl-4-(4-methylphenoxy)-2-phenylpyrimidine-5-carboxamide
SMILESCc1ccc(Oc2nc(-c3ccccc3)ncc2C(=O)N(C)Cc2ccccc2)cc1
InChIInChI=1S/C26H23N3O2/c1-19-13-15-22(16-14-19)31-25-23(17-27-24(28-25)21-11-7-4-8-12-21)26(30)29(2)18-20-9-5-3-6-10-20/h3-17H,18H2,1-2H3
InChIKeyWGOMCVDNWAAJEY-UHFFFAOYSA-N
XLogP5.52
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.49
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-4-(dimethylamino)-N-methyl-2-phenylpyrimidine-5-carboxamide
CID 42670152
N,4-dimethyl-2-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]pyrimidine-5-carboxamide
CID 72873937
ethyl 1-[4-(4-methylphenoxy)-2-phenylpyrimidine-5-carbonyl]piperidine-3-carboxylate
CID 42670111
N-benzyl-N-methyl-2-phenoxybenzamide
CID 3401624
2-[methyl-[(4-methylphenyl)methyl]carbamoyl]benzoic acid
CID 28798661
N-cyclohexyl-4-(2-methoxy-4-methylphenoxy)-N-methyl-2-phenylpyrimidine-5-carboxamide
CID 42670184
N-benzyl-N-methyl-4-[methyl(propan-2-yl)amino]-2-(3,4,5-trimethoxyphenyl)pyrimidine-5-carboxamide
CID 42670299
[4-(dimethylamino)piperidin-1-yl]-[4-(3,4-dimethylphenoxy)-2-phenylpyrimidin-5-yl]methanone
CID 42882396
N-[(4-ethoxyphenyl)methyl]-N,4-dimethylbenzamide
CID 78780692
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-2-(4-methylpiperazin-1-yl)-4-phenoxypyrimidine-5-carboxamide
CID 90855108
4-amino-2-(methoxymethyl)-N-methyl-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 100613353
N-methyl-6-oxo-N-[(4-phenoxyphenyl)methyl]-1H-pyrimidine-5-carboxamide
CID 70720481

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-4-(4-methylphenoxy)-2-phenylpyrimidine-5-carboxamide?
The IUPAC name of N-benzyl-N-methyl-4-(4-methylphenoxy)-2-phenylpyrimidine-5-carboxamide (CID 42670112) is N-benzyl-N-methyl-4-(4-methylphenoxy)-2-phenylpyrimidine-5-carboxamide.
What is the SMILES notation for N-benzyl-N-methyl-4-(4-methylphenoxy)-2-phenylpyrimidine-5-carboxamide?
The canonical SMILES for N-benzyl-N-methyl-4-(4-methylphenoxy)-2-phenylpyrimidine-5-carboxamide is Cc1ccc(Oc2nc(-c3ccccc3)ncc2C(=O)N(C)Cc2ccccc2)cc1.
What is the InChIKey of N-benzyl-N-methyl-4-(4-methylphenoxy)-2-phenylpyrimidine-5-carboxamide?
The InChIKey is WGOMCVDNWAAJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O2/c1-19-13-15-22(16-14-19)31-25-23(17-27-24(28-25)21-11-7-4-8-12-21)26(30)29(2)18-20-9-5-3-6-10-20/h3-17H,18H2,1-2H3.
What are the key properties of N-benzyl-N-methyl-4-(4-methylphenoxy)-2-phenylpyrimidine-5-carboxamide?
N-benzyl-N-methyl-4-(4-methylphenoxy)-2-phenylpyrimidine-5-carboxamide has a molecular weight of 409.49 g/mol, XLogP of 5.52, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-4-(4-methylphenoxy)-2-phenylpyrimidine-5-carboxamide is sourced from PubChem (CID 42670112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).