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

C17H21N3O2 — CID 121120778

IUPACN-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1CC(=O)NCCn1cnc(C)c(C)c1=O
InChIInChI=1S/C17H21N3O2/c1-12-6-4-5-7-15(12)10-16(21)18-8-9-20-11-19-14(3)13(2)17(20)22/h4-7,11H,8-10H2,1-3H3,(H,18,21)
InChIKeyDJNBHKINSUWUJM-UHFFFAOYSA-N
MW299.37 g/mol
LogP1.53
Rot. Bonds5

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

N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(2-methylphenyl)acetamide (PubChem CID 121120778) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(2-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(2-methylphenyl)acetamide
PubChem CID121120778
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC NameN-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1CC(=O)NCCn1cnc(C)c(C)c1=O
InChIInChI=1S/C17H21N3O2/c1-12-6-4-5-7-15(12)10-16(21)18-8-9-20-11-19-14(3)13(2)17(20)22/h4-7,11H,8-10H2,1-3H3,(H,18,21)
InChIKeyDJNBHKINSUWUJM-UHFFFAOYSA-N
XLogP1.53
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]propanamide
CID 121120623
N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 121120854
N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(4-methoxyphenyl)acetamide
CID 121120627
2-(benzimidazol-1-yl)-N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]acetamide
CID 121120794
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]-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 121120898
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]naphthalene-2-carboxamide
CID 121120660
4-tert-butyl-N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]benzamide
CID 121120830
4-chloro-N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]benzamide
CID 121120714
N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-pyridin-4-ylsulfanylacetamide
CID 121120887
N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(3-methylphenoxy)acetamide
CID 121120758

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(2-methylphenyl)acetamide?
The IUPAC name of N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(2-methylphenyl)acetamide (CID 121120778) is N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(2-methylphenyl)acetamide.
What is the SMILES notation for N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(2-methylphenyl)acetamide?
The canonical SMILES for N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(2-methylphenyl)acetamide is Cc1ccccc1CC(=O)NCCn1cnc(C)c(C)c1=O.
What is the InChIKey of N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(2-methylphenyl)acetamide?
The InChIKey is DJNBHKINSUWUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-12-6-4-5-7-15(12)10-16(21)18-8-9-20-11-19-14(3)13(2)17(20)22/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-(2-methylphenyl)acetamide?
N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(2-methylphenyl)acetamide has a molecular weight of 299.37 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(2-methylphenyl)acetamide is sourced from PubChem (CID 121120778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).