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

C18H18N4O4 — CID 121120854

IUPACN-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
SMILESCc1ncn(CCNC(=O)CN2C(=O)c3ccccc3C2=O)c(=O)c1C
InChIInChI=1S/C18H18N4O4/c1-11-12(2)20-10-21(16(11)24)8-7-19-15(23)9-22-17(25)13-5-3-4-6-14(13)18(22)26/h3-6,10H,7-9H2,1-2H3,(H,19,23)
InChIKeyRQGZJUYHNTZLOU-UHFFFAOYSA-N
MW354.37 g/mol
LogP0.27
Rot. Bonds5

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

N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide (PubChem CID 121120854) has the molecular formula C18H18N4O4 and a molecular weight of 354.37 g/mol. Its IUPAC name is N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
PubChem CID121120854
Molecular FormulaC18H18N4O4
Molecular Weight354.37 g/mol
Exact Mass354.13
IUPAC NameN-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
SMILESCc1ncn(CCNC(=O)CN2C(=O)c3ccccc3C2=O)c(=O)c1C
InChIInChI=1S/C18H18N4O4/c1-11-12(2)20-10-21(16(11)24)8-7-19-15(23)9-22-17(25)13-5-3-4-6-14(13)18(22)26/h3-6,10H,7-9H2,1-2H3,(H,19,23)
InChIKeyRQGZJUYHNTZLOU-UHFFFAOYSA-N
XLogP0.27
TPSA101.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 121120898
2-(1,3-dioxoisoindol-2-yl)-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]acetamide
CID 121121253
2-(benzimidazol-1-yl)-N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]acetamide
CID 121120794
2-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]acetamide
CID 121119335
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-(4-methyl-6-oxopyrimidin-1-yl)acetamide
CID 121120827
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-methylphenoxy)acetamide
CID 121120758
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

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide?
The IUPAC name of N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide (CID 121120854) is N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide.
What is the SMILES notation for N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide?
The canonical SMILES for N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide is Cc1ncn(CCNC(=O)CN2C(=O)c3ccccc3C2=O)c(=O)c1C.
What is the InChIKey of N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide?
The InChIKey is RQGZJUYHNTZLOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4/c1-11-12(2)20-10-21(16(11)24)8-7-19-15(23)9-22-17(25)13-5-3-4-6-14(13)18(22)26/h3-6,10H,7-9H2,1-2H3,(H,19,23).
What are the key properties of N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide?
N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide has a molecular weight of 354.37 g/mol, XLogP of 0.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide is sourced from PubChem (CID 121120854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).