N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(4-methoxyphenyl)acetamide

C17H21N3O3 — CID 121120627

IUPACN-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NCCn2cnc(C)c(C)c2=O)cc1
InChIInChI=1S/C17H21N3O3/c1-12-13(2)19-11-20(17(12)22)9-8-18-16(21)10-14-4-6-15(23-3)7-5-14/h4-7,11H,8-10H2,1-3H3,(H,18,21)
InChIKeyMESDUNGLDIOGOF-UHFFFAOYSA-N
MW315.37 g/mol
LogP1.23
Rot. Bonds6

About N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(4-methoxyphenyl)acetamide

N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(4-methoxyphenyl)acetamide (PubChem CID 121120627) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(4-methoxyphenyl)acetamide
PubChem CID121120627
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC NameN-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NCCn2cnc(C)c(C)c2=O)cc1
InChIInChI=1S/C17H21N3O3/c1-12-13(2)19-11-20(17(12)22)9-8-18-16(21)10-14-4-6-15(23-3)7-5-14/h4-7,11H,8-10H2,1-3H3,(H,18,21)
InChIKeyMESDUNGLDIOGOF-UHFFFAOYSA-N
XLogP1.23
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(4-ethoxyphenyl)acetamide
CID 121120629
N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(2-methylphenyl)acetamide
CID 121120778
N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]propanamide
CID 121120623
N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(3,4-dimethylphenoxy)acetamide
CID 121120751
N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 121120727
3-(2,5-dimethoxyphenyl)-N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-1-methylpyrazole-5-carboxamide
CID 121120921
N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(3-methylphenoxy)acetamide
CID 121120758
2-(4-bromophenyl)-N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]acetamide
CID 90515797
2-(4-fluorophenyl)-N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]acetamide
CID 90515745
N-[2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-2-(4-methoxyphenyl)acetamide
CID 121106541
N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]naphthalene-2-carboxamide
CID 121120660
N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2,3-dimethoxybenzamide
CID 121120641

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(4-methoxyphenyl)acetamide (CID 121120627) is N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)NCCn2cnc(C)c(C)c2=O)cc1.
What is the InChIKey of N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(4-methoxyphenyl)acetamide?
The InChIKey is MESDUNGLDIOGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-12-13(2)19-11-20(17(12)22)9-8-18-16(21)10-14-4-6-15(23-3)7-5-14/h4-7,11H,8-10H2,1-3H3,(H,18,21).
What are the key properties of N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(4-methoxyphenyl)acetamide?
N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(4-methoxyphenyl)acetamide has a molecular weight of 315.37 g/mol, XLogP of 1.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 121120627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).