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

C16H18N4O3 — CID 122262517

IUPAC2-acetamido-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]acetamide
SMILESCOc1ccc(-c2cc(CNC(=O)CNC(C)=O)ncn2)cc1
InChIInChI=1S/C16H18N4O3/c1-11(21)17-9-16(22)18-8-13-7-15(20-10-19-13)12-3-5-14(23-2)6-4-12/h3-7,10H,8-9H2,1-2H3,(H,17,21)(H,18,22)
InChIKeyIZIHCDUJKXGQEZ-UHFFFAOYSA-N
MW314.35 g/mol
LogP0.90
Rot. Bonds6

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

2-acetamido-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]acetamide (PubChem CID 122262517) has the molecular formula C16H18N4O3 and a molecular weight of 314.35 g/mol. Its IUPAC name is 2-acetamido-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2-acetamido-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]acetamide
PubChem CID122262517
Molecular FormulaC16H18N4O3
Molecular Weight314.35 g/mol
Exact Mass314.14
IUPAC Name2-acetamido-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]acetamide
SMILESCOc1ccc(-c2cc(CNC(=O)CNC(C)=O)ncn2)cc1
InChIInChI=1S/C16H18N4O3/c1-11(21)17-9-16(22)18-8-13-7-15(20-10-19-13)12-3-5-14(23-2)6-4-12/h3-7,10H,8-9H2,1-2H3,(H,17,21)(H,18,22)
InChIKeyIZIHCDUJKXGQEZ-UHFFFAOYSA-N
XLogP0.90
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]propanamide
CID 122262240
N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-(4-methoxyphenoxy)acetamide
CID 122262823
2-(4-fluorophenyl)-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]acetamide
CID 122262243
2-(4-methoxyphenyl)-N-[(6-phenylpyrimidin-4-yl)methyl]acetamide
CID 122261746
N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-2-pyridin-4-ylsulfanylacetamide
CID 122262505
N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-3,5-dimethylbenzamide
CID 122262330
4-chloro-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]benzamide
CID 122262337
N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]cyclohexanecarboxamide
CID 122262450
2-(4-methoxyphenoxy)-N-[(6-phenylpyrimidin-4-yl)methyl]propanamide
CID 122261886
2,5-dichloro-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]benzamide
CID 122262271
1-(2-methoxyphenyl)-3-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]urea
CID 122262605
2-(1,2-benzoxazol-3-yl)-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]acetamide
CID 122262368

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]acetamide?
The IUPAC name of 2-acetamido-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]acetamide (CID 122262517) is 2-acetamido-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]acetamide.
What is the SMILES notation for 2-acetamido-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]acetamide?
The canonical SMILES for 2-acetamido-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]acetamide is COc1ccc(-c2cc(CNC(=O)CNC(C)=O)ncn2)cc1.
What is the InChIKey of 2-acetamido-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]acetamide?
The InChIKey is IZIHCDUJKXGQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3/c1-11(21)17-9-16(22)18-8-13-7-15(20-10-19-13)12-3-5-14(23-2)6-4-12/h3-7,10H,8-9H2,1-2H3,(H,17,21)(H,18,22).
What are the key properties of 2-acetamido-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]acetamide?
2-acetamido-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]acetamide has a molecular weight of 314.35 g/mol, XLogP of 0.90, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]acetamide is sourced from PubChem (CID 122262517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).