2-(4-methoxyphenyl)-N-[(6-phenylpyrimidin-4-yl)methyl]acetamide

C20H19N3O2 — CID 122261746

IUPAC2-(4-methoxyphenyl)-N-[(6-phenylpyrimidin-4-yl)methyl]acetamide
SMILESCOc1ccc(CC(=O)NCc2cc(-c3ccccc3)ncn2)cc1
InChIInChI=1S/C20H19N3O2/c1-25-18-9-7-15(8-10-18)11-20(24)21-13-17-12-19(23-14-22-17)16-5-3-2-4-6-16/h2-10,12,14H,11,13H2,1H3,(H,21,24)
InChIKeyNMQISQCMVNZSMK-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.01
Rot. Bonds6

About 2-(4-methoxyphenyl)-N-[(6-phenylpyrimidin-4-yl)methyl]acetamide

2-(4-methoxyphenyl)-N-[(6-phenylpyrimidin-4-yl)methyl]acetamide (PubChem CID 122261746) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[(6-phenylpyrimidin-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[(6-phenylpyrimidin-4-yl)methyl]acetamide
PubChem CID122261746
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name2-(4-methoxyphenyl)-N-[(6-phenylpyrimidin-4-yl)methyl]acetamide
SMILESCOc1ccc(CC(=O)NCc2cc(-c3ccccc3)ncn2)cc1
InChIInChI=1S/C20H19N3O2/c1-25-18-9-7-15(8-10-18)11-20(24)21-13-17-12-19(23-14-22-17)16-5-3-2-4-6-16/h2-10,12,14H,11,13H2,1H3,(H,21,24)
InChIKeyNMQISQCMVNZSMK-UHFFFAOYSA-N
XLogP3.01
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenyl)-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]acetamide
CID 122262243
N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]propanamide
CID 122262240
2-(4-methoxyphenoxy)-N-[(6-phenylpyrimidin-4-yl)methyl]propanamide
CID 122261886
2-(1,2-benzoxazol-3-yl)-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]acetamide
CID 122262368
2-acetamido-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]acetamide
CID 122262517
N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-(4-methoxyphenoxy)acetamide
CID 122262823
N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-3,5-dimethylbenzamide
CID 122262330
1-(2-methoxyphenyl)-3-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]urea
CID 122262605
4-chloro-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]benzamide
CID 122262337
2-(2-methoxy-4-methylphenoxy)-N-[(6-phenylpyrimidin-4-yl)methyl]acetamide
CID 122261876
2-(2,4-difluorophenyl)-N-[(6-phenylpyrimidin-4-yl)methyl]acetamide
CID 122262058
N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[(6-phenylpyrimidin-4-yl)methyl]acetamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-[(6-phenylpyrimidin-4-yl)methyl]acetamide (CID 122261746) is 2-(4-methoxyphenyl)-N-[(6-phenylpyrimidin-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[(6-phenylpyrimidin-4-yl)methyl]acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[(6-phenylpyrimidin-4-yl)methyl]acetamide is COc1ccc(CC(=O)NCc2cc(-c3ccccc3)ncn2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[(6-phenylpyrimidin-4-yl)methyl]acetamide?
The InChIKey is NMQISQCMVNZSMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-25-18-9-7-15(8-10-18)11-20(24)21-13-17-12-19(23-14-22-17)16-5-3-2-4-6-16/h2-10,12,14H,11,13H2,1H3,(H,21,24).
What are the key properties of 2-(4-methoxyphenyl)-N-[(6-phenylpyrimidin-4-yl)methyl]acetamide?
2-(4-methoxyphenyl)-N-[(6-phenylpyrimidin-4-yl)methyl]acetamide has a molecular weight of 333.39 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[(6-phenylpyrimidin-4-yl)methyl]acetamide is sourced from PubChem (CID 122261746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).