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

C11H17N3O2 — CID 121120623

IUPACN-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]propanamide
SMILESCCC(=O)NCCn1cnc(C)c(C)c1=O
InChIInChI=1S/C11H17N3O2/c1-4-10(15)12-5-6-14-7-13-9(3)8(2)11(14)16/h7H,4-6H2,1-3H3,(H,12,15)
InChIKeyWNAYXYFWVAIDNL-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.39
Rot. Bonds4

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

N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]propanamide (PubChem CID 121120623) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]propanamide.

Molecular Properties

Compound NameN-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]propanamide
PubChem CID121120623
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC NameN-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]propanamide
SMILESCCC(=O)NCCn1cnc(C)c(C)c1=O
InChIInChI=1S/C11H17N3O2/c1-4-10(15)12-5-6-14-7-13-9(3)8(2)11(14)16/h7H,4-6H2,1-3H3,(H,12,15)
InChIKeyWNAYXYFWVAIDNL-UHFFFAOYSA-N
XLogP0.39
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide
CID 121120827
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]-2-(4-ethoxyphenyl)acetamide
CID 121120629
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
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-(3,4-dimethylphenoxy)acetamide
CID 121120751
2-(benzimidazol-1-yl)-N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]acetamide
CID 121120794
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
1-cyclopentyl-3-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]urea
CID 121121011
N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 121120727

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]propanamide?
The IUPAC name of N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]propanamide (CID 121120623) is N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]propanamide.
What is the SMILES notation for N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]propanamide?
The canonical SMILES for N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]propanamide is CCC(=O)NCCn1cnc(C)c(C)c1=O.
What is the InChIKey of N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]propanamide?
The InChIKey is WNAYXYFWVAIDNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-4-10(15)12-5-6-14-7-13-9(3)8(2)11(14)16/h7H,4-6H2,1-3H3,(H,12,15).
What are the key properties of N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]propanamide?
N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]propanamide has a molecular weight of 223.28 g/mol, XLogP of 0.39, 4 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]propanamide is sourced from PubChem (CID 121120623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).