2-(1,3-diethyl-2,4-dioxopyrrolo[2,3-d]pyrimidin-7-yl)-N-(3,5-dimethylphenyl)acetamide

C20H24N4O3 — CID 53111814

IUPAC2-(1,3-diethyl-2,4-dioxopyrrolo[2,3-d]pyrimidin-7-yl)-N-(3,5-dimethylphenyl)acetamide
SMILESCCn1c(=O)c2ccn(CC(=O)Nc3cc(C)cc(C)c3)c2n(CC)c1=O
InChIInChI=1S/C20H24N4O3/c1-5-23-18-16(19(26)24(6-2)20(23)27)7-8-22(18)12-17(25)21-15-10-13(3)9-14(4)11-15/h7-11H,5-6,12H2,1-4H3,(H,21,25)
InChIKeyZOIFJBUCRUAAEV-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.26
Rot. Bonds5

About 2-(1,3-diethyl-2,4-dioxopyrrolo[2,3-d]pyrimidin-7-yl)-N-(3,5-dimethylphenyl)acetamide

2-(1,3-diethyl-2,4-dioxopyrrolo[2,3-d]pyrimidin-7-yl)-N-(3,5-dimethylphenyl)acetamide (PubChem CID 53111814) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 2-(1,3-diethyl-2,4-dioxopyrrolo[2,3-d]pyrimidin-7-yl)-N-(3,5-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(1,3-diethyl-2,4-dioxopyrrolo[2,3-d]pyrimidin-7-yl)-N-(3,5-dimethylphenyl)acetamide
PubChem CID53111814
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name2-(1,3-diethyl-2,4-dioxopyrrolo[2,3-d]pyrimidin-7-yl)-N-(3,5-dimethylphenyl)acetamide
SMILESCCn1c(=O)c2ccn(CC(=O)Nc3cc(C)cc(C)c3)c2n(CC)c1=O
InChIInChI=1S/C20H24N4O3/c1-5-23-18-16(19(26)24(6-2)20(23)27)7-8-22(18)12-17(25)21-15-10-13(3)9-14(4)11-15/h7-11H,5-6,12H2,1-4H3,(H,21,25)
InChIKeyZOIFJBUCRUAAEV-UHFFFAOYSA-N
XLogP2.26
TPSA78.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1,3-diethyl-2,4-dioxopyrrolo[2,3-d]pyrimidin-7-yl)-N-ethylacetamide
CID 53111811
N-(3-chloro-4-methoxyphenyl)-2-(1,3-diethyl-2,4-dioxopyrrolo[2,3-d]pyrimidin-7-yl)acetamide
CID 53111763
2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-(3,5-dimethylphenyl)acetamide
CID 46395161
N-(3,5-dimethylphenyl)-2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide
CID 46396068
N-[2-(cyclohexen-1-yl)ethyl]-2-(1,3-diethyl-2,4-dioxopyrrolo[2,3-d]pyrimidin-7-yl)acetamide
CID 53010876
2-(7-bromo-4-oxoquinolin-1-yl)-N-(3,5-dimethylphenyl)acetamide
CID 100739906
N-(3,5-dimethylphenyl)-2-[4-(3,5-dimethylphenyl)-2,3-dioxopyrazin-1-yl]acetamide
CID 18591694
2-(3-ethyl-2-oxoimidazol-1-yl)-N-(3-methylphenyl)acetamide
CID 116624138
ethyl 2-[2-[2-(3,5-dimethylanilino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate
CID 2149387
7-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-diethylpyrrolo[2,3-d]pyrimidine-2,4-dione
CID 53111773
N-(3,5-dimethylphenyl)-2-[2,3-dioxo-4-(2,2,2-trifluoroethyl)pyrazin-1-yl]acetamide
CID 172906485
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3,5-dimethylphenyl)acetamide
CID 718049

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-diethyl-2,4-dioxopyrrolo[2,3-d]pyrimidin-7-yl)-N-(3,5-dimethylphenyl)acetamide?
The IUPAC name of 2-(1,3-diethyl-2,4-dioxopyrrolo[2,3-d]pyrimidin-7-yl)-N-(3,5-dimethylphenyl)acetamide (CID 53111814) is 2-(1,3-diethyl-2,4-dioxopyrrolo[2,3-d]pyrimidin-7-yl)-N-(3,5-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(1,3-diethyl-2,4-dioxopyrrolo[2,3-d]pyrimidin-7-yl)-N-(3,5-dimethylphenyl)acetamide?
The canonical SMILES for 2-(1,3-diethyl-2,4-dioxopyrrolo[2,3-d]pyrimidin-7-yl)-N-(3,5-dimethylphenyl)acetamide is CCn1c(=O)c2ccn(CC(=O)Nc3cc(C)cc(C)c3)c2n(CC)c1=O.
What is the InChIKey of 2-(1,3-diethyl-2,4-dioxopyrrolo[2,3-d]pyrimidin-7-yl)-N-(3,5-dimethylphenyl)acetamide?
The InChIKey is ZOIFJBUCRUAAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-5-23-18-16(19(26)24(6-2)20(23)27)7-8-22(18)12-17(25)21-15-10-13(3)9-14(4)11-15/h7-11H,5-6,12H2,1-4H3,(H,21,25).
What are the key properties of 2-(1,3-diethyl-2,4-dioxopyrrolo[2,3-d]pyrimidin-7-yl)-N-(3,5-dimethylphenyl)acetamide?
2-(1,3-diethyl-2,4-dioxopyrrolo[2,3-d]pyrimidin-7-yl)-N-(3,5-dimethylphenyl)acetamide has a molecular weight of 368.44 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-diethyl-2,4-dioxopyrrolo[2,3-d]pyrimidin-7-yl)-N-(3,5-dimethylphenyl)acetamide is sourced from PubChem (CID 53111814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).