2-(2,6-dimethyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)-N-(2,4-dimethylphenyl)acetamide

C18H20N4O2 — CID 110429923

IUPAC2-(2,6-dimethyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)-N-(2,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cn2c(C)nc3[nH]c(C)cc3c2=O)c(C)c1
InChIInChI=1S/C18H20N4O2/c1-10-5-6-15(11(2)7-10)21-16(23)9-22-13(4)20-17-14(18(22)24)8-12(3)19-17/h5-8,19H,9H2,1-4H3,(H,21,23)
InChIKeyUUXPIVXEQJFLSR-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.60
Rot. Bonds3

About 2-(2,6-dimethyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)-N-(2,4-dimethylphenyl)acetamide

2-(2,6-dimethyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)-N-(2,4-dimethylphenyl)acetamide (PubChem CID 110429923) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-(2,6-dimethyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)-N-(2,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(2,6-dimethyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)-N-(2,4-dimethylphenyl)acetamide
PubChem CID110429923
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name2-(2,6-dimethyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)-N-(2,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cn2c(C)nc3[nH]c(C)cc3c2=O)c(C)c1
InChIInChI=1S/C18H20N4O2/c1-10-5-6-15(11(2)7-10)21-16(23)9-22-13(4)20-17-14(18(22)24)8-12(3)19-17/h5-8,19H,9H2,1-4H3,(H,21,23)
InChIKeyUUXPIVXEQJFLSR-UHFFFAOYSA-N
XLogP2.60
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-(2,6-dimethyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)acetamide
CID 110429851
N-(2,4-dimethylphenyl)-2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 23409130
N-(4-chloro-2-methylphenyl)-2-(6-methyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)acetamide
CID 110429967
2-(4-amino-2-methylbenzimidazol-1-yl)-N-(2,4-dimethylphenyl)acetamide
CID 93215396
2,6-dimethyl-3-(2-methylpropyl)-7H-pyrrolo[2,3-d]pyrimidin-4-one
CID 110429628
2-(2,6-dimethyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)-N-(2,5-dimethylphenyl)propanamide
CID 110430017
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(2,4-dimethylphenyl)acetamide
CID 7182030
N-(2,4-dimethylphenyl)-2-[4-oxo-2-(3,4,5-trimethoxyphenyl)quinazolin-3-yl]acetamide
CID 15996905
3-(2,3-dihydroxypropyl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-one
CID 110429658
N-(2,4-dimethylphenyl)-2-[2-(4-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide
CID 91912020
2-(3-butyl-2,4-dioxoquinazolin-1-yl)-N-(2,4-dimethylphenyl)acetamide
CID 45030658
2-(4,5-dimethyl-6-oxo-2-pyrazin-2-ylpyrimidin-1-yl)-N-(2,4-dimethylphenyl)acetamide
CID 175667175

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)-N-(2,4-dimethylphenyl)acetamide?
The IUPAC name of 2-(2,6-dimethyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)-N-(2,4-dimethylphenyl)acetamide (CID 110429923) is 2-(2,6-dimethyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)-N-(2,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(2,6-dimethyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)-N-(2,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-(2,6-dimethyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)-N-(2,4-dimethylphenyl)acetamide is Cc1ccc(NC(=O)Cn2c(C)nc3[nH]c(C)cc3c2=O)c(C)c1.
What is the InChIKey of 2-(2,6-dimethyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)-N-(2,4-dimethylphenyl)acetamide?
The InChIKey is UUXPIVXEQJFLSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-10-5-6-15(11(2)7-10)21-16(23)9-22-13(4)20-17-14(18(22)24)8-12(3)19-17/h5-8,19H,9H2,1-4H3,(H,21,23).
What are the key properties of 2-(2,6-dimethyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)-N-(2,4-dimethylphenyl)acetamide?
2-(2,6-dimethyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)-N-(2,4-dimethylphenyl)acetamide has a molecular weight of 324.38 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)-N-(2,4-dimethylphenyl)acetamide is sourced from PubChem (CID 110429923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).