N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(3-methylphenoxy)acetamide

C17H21N3O3 — CID 121120758

IUPACN-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(3-methylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)NCCn2cnc(C)c(C)c2=O)c1
InChIInChI=1S/C17H21N3O3/c1-12-5-4-6-15(9-12)23-10-16(21)18-7-8-20-11-19-14(3)13(2)17(20)22/h4-6,9,11H,7-8,10H2,1-3H3,(H,18,21)
InChIKeySLXIZCGPAOBMKA-UHFFFAOYSA-N
MW315.37 g/mol
LogP1.36
Rot. Bonds6

About N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(3-methylphenoxy)acetamide

N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(3-methylphenoxy)acetamide (PubChem CID 121120758) 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-(3-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(3-methylphenoxy)acetamide
PubChem CID121120758
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC NameN-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(3-methylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)NCCn2cnc(C)c(C)c2=O)c1
InChIInChI=1S/C17H21N3O3/c1-12-5-4-6-15(9-12)23-10-16(21)18-7-8-20-11-19-14(3)13(2)17(20)22/h4-6,9,11H,7-8,10H2,1-3H3,(H,18,21)
InChIKeySLXIZCGPAOBMKA-UHFFFAOYSA-N
XLogP1.36
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 ≤ 51.36
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-(3,4-dimethylphenoxy)acetamide
CID 121120751
N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 121120727
N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-2-(3-methylphenoxy)acetamide
CID 90515885
N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]propanamide
CID 121120623
N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(4-methoxyphenyl)acetamide
CID 121120627
N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(2-methylphenyl)acetamide
CID 121120778
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]acetamide
CID 121120790
2-(3-methylphenoxy)-N-[3-(3-methylphenoxy)propyl]acetamide
CID 24533364
N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(4-ethoxyphenyl)acetamide
CID 121120629
N-[2-[5-[(4-bromophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-2-(3-methylphenoxy)acetamide
CID 42391090
N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 121120854
2-(3-methylphenoxy)-N-[2-[5-[(3-nitrophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]acetamide
CID 42391625

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(3-methylphenoxy)acetamide?
The IUPAC name of N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(3-methylphenoxy)acetamide (CID 121120758) is N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(3-methylphenoxy)acetamide.
What is the SMILES notation for N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(3-methylphenoxy)acetamide?
The canonical SMILES for N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(3-methylphenoxy)acetamide is Cc1cccc(OCC(=O)NCCn2cnc(C)c(C)c2=O)c1.
What is the InChIKey of N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(3-methylphenoxy)acetamide?
The InChIKey is SLXIZCGPAOBMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-12-5-4-6-15(9-12)23-10-16(21)18-7-8-20-11-19-14(3)13(2)17(20)22/h4-6,9,11H,7-8,10H2,1-3H3,(H,18,21).
What are the key properties of N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(3-methylphenoxy)acetamide?
N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(3-methylphenoxy)acetamide has a molecular weight of 315.37 g/mol, XLogP of 1.36, 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-(3-methylphenoxy)acetamide is sourced from PubChem (CID 121120758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).