N-[4-(4-methoxyphenyl)-6-(4-methylphenyl)pyrimidin-2-yl]benzamide

C25H21N3O2 — CID 20896233

IUPACN-[4-(4-methoxyphenyl)-6-(4-methylphenyl)pyrimidin-2-yl]benzamide
SMILESCOc1ccc(-c2cc(-c3ccc(C)cc3)nc(NC(=O)c3ccccc3)n2)cc1
InChIInChI=1S/C25H21N3O2/c1-17-8-10-18(11-9-17)22-16-23(19-12-14-21(30-2)15-13-19)27-25(26-22)28-24(29)20-6-4-3-5-7-20/h3-16H,1-2H3,(H,26,27,28,29)
InChIKeyBVDCLOSCHZHDAJ-UHFFFAOYSA-N
MW395.46 g/mol
LogP5.38
Rot. Bonds5

About N-[4-(4-methoxyphenyl)-6-(4-methylphenyl)pyrimidin-2-yl]benzamide

N-[4-(4-methoxyphenyl)-6-(4-methylphenyl)pyrimidin-2-yl]benzamide (PubChem CID 20896233) has the molecular formula C25H21N3O2 and a molecular weight of 395.46 g/mol. Its IUPAC name is N-[4-(4-methoxyphenyl)-6-(4-methylphenyl)pyrimidin-2-yl]benzamide.

Molecular Properties

Compound NameN-[4-(4-methoxyphenyl)-6-(4-methylphenyl)pyrimidin-2-yl]benzamide
PubChem CID20896233
Molecular FormulaC25H21N3O2
Molecular Weight395.46 g/mol
Exact Mass395.16
IUPAC NameN-[4-(4-methoxyphenyl)-6-(4-methylphenyl)pyrimidin-2-yl]benzamide
SMILESCOc1ccc(-c2cc(-c3ccc(C)cc3)nc(NC(=O)c3ccccc3)n2)cc1
InChIInChI=1S/C25H21N3O2/c1-17-8-10-18(11-9-17)22-16-23(19-12-14-21(30-2)15-13-19)27-25(26-22)28-24(29)20-6-4-3-5-7-20/h3-16H,1-2H3,(H,26,27,28,29)
InChIKeyBVDCLOSCHZHDAJ-UHFFFAOYSA-N
XLogP5.38
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.46
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-chlorophenyl)-6-(4-methoxyphenyl)pyrimidin-2-yl]benzamide
CID 20896243
N-[4,6-bis(4-methoxyphenyl)pyrimidin-2-yl]-3-chlorobenzamide
CID 20896247
N-[4-methoxy-2-(4-methylphenyl)quinolin-6-yl]benzamide
CID 53001311
N-[4-methoxy-2-(4-methoxyphenyl)quinolin-6-yl]benzamide
CID 53113445
N-(4,6-dimethoxypyrimidin-2-yl)benzamide
CID 4270193
N-[4-(4-chlorophenyl)-6-phenylpyrimidin-2-yl]-3,4-dimethoxybenzamide
CID 20896216
N-(2-benzoyl-5-methoxyphenyl)-4-methylbenzamide
CID 139696912
2-(4-methoxyphenyl)-4,6-diphenylpyrimidine
CID 12706669
[4-(4-methoxyphenyl)-6-phenylpyrimidin-2-yl]hydrazine
CID 23649159
N-(4-anilino-6-methoxy-1,3,5-triazin-2-yl)-4-methylbenzamide
CID 58205198
N-[1-ethyl-2-(4-methoxyphenyl)-6-oxopyrimidin-5-yl]benzamide
CID 142150656
7-methoxy-N-(4-methylphenyl)-2-phenylquinoline-4-carboxamide
CID 164616063

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methoxyphenyl)-6-(4-methylphenyl)pyrimidin-2-yl]benzamide?
The IUPAC name of N-[4-(4-methoxyphenyl)-6-(4-methylphenyl)pyrimidin-2-yl]benzamide (CID 20896233) is N-[4-(4-methoxyphenyl)-6-(4-methylphenyl)pyrimidin-2-yl]benzamide.
What is the SMILES notation for N-[4-(4-methoxyphenyl)-6-(4-methylphenyl)pyrimidin-2-yl]benzamide?
The canonical SMILES for N-[4-(4-methoxyphenyl)-6-(4-methylphenyl)pyrimidin-2-yl]benzamide is COc1ccc(-c2cc(-c3ccc(C)cc3)nc(NC(=O)c3ccccc3)n2)cc1.
What is the InChIKey of N-[4-(4-methoxyphenyl)-6-(4-methylphenyl)pyrimidin-2-yl]benzamide?
The InChIKey is BVDCLOSCHZHDAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O2/c1-17-8-10-18(11-9-17)22-16-23(19-12-14-21(30-2)15-13-19)27-25(26-22)28-24(29)20-6-4-3-5-7-20/h3-16H,1-2H3,(H,26,27,28,29).
What are the key properties of N-[4-(4-methoxyphenyl)-6-(4-methylphenyl)pyrimidin-2-yl]benzamide?
N-[4-(4-methoxyphenyl)-6-(4-methylphenyl)pyrimidin-2-yl]benzamide has a molecular weight of 395.46 g/mol, XLogP of 5.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methoxyphenyl)-6-(4-methylphenyl)pyrimidin-2-yl]benzamide is sourced from PubChem (CID 20896233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).