N-(2-fluorophenyl)-7-(2-methoxyethyl)-1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidine-6-carboxamide

C18H19FN4O4 — CID 42209028

IUPACN-(2-fluorophenyl)-7-(2-methoxyethyl)-1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidine-6-carboxamide
SMILESCOCCn1c(C(=O)Nc2ccccc2F)cc2c(=O)n(C)c(=O)n(C)c21
InChIInChI=1S/C18H19FN4O4/c1-21-16-11(17(25)22(2)18(21)26)10-14(23(16)8-9-27-3)15(24)20-13-7-5-4-6-12(13)19/h4-7,10H,8-9H2,1-3H3,(H,20,24)
InChIKeyCECKCXGFKXABJP-UHFFFAOYSA-N
MW374.37 g/mol
LogP1.08
Rot. Bonds5

About N-(2-fluorophenyl)-7-(2-methoxyethyl)-1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidine-6-carboxamide

N-(2-fluorophenyl)-7-(2-methoxyethyl)-1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidine-6-carboxamide (PubChem CID 42209028) has the molecular formula C18H19FN4O4 and a molecular weight of 374.37 g/mol. Its IUPAC name is N-(2-fluorophenyl)-7-(2-methoxyethyl)-1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-7-(2-methoxyethyl)-1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidine-6-carboxamide
PubChem CID42209028
Molecular FormulaC18H19FN4O4
Molecular Weight374.37 g/mol
Exact Mass374.14
IUPAC NameN-(2-fluorophenyl)-7-(2-methoxyethyl)-1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidine-6-carboxamide
SMILESCOCCn1c(C(=O)Nc2ccccc2F)cc2c(=O)n(C)c(=O)n(C)c21
InChIInChI=1S/C18H19FN4O4/c1-21-16-11(17(25)22(2)18(21)26)10-14(23(16)8-9-27-3)15(24)20-13-7-5-4-6-12(13)19/h4-7,10H,8-9H2,1-3H3,(H,20,24)
InChIKeyCECKCXGFKXABJP-UHFFFAOYSA-N
XLogP1.08
TPSA87.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.37
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-carbamoylphenyl)-7-(3-methoxypropyl)-1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 42217376
6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-7-(2-methoxyethyl)-1,3-dimethylpyrrolo[2,3-d]pyrimidine-2,4-dione
CID 42175972
7-(2-methoxyethyl)-1,3-dimethyl-6-(4-phenylpiperazine-1-carbonyl)pyrrolo[2,3-d]pyrimidine-2,4-dione
CID 42175974
N-(2-fluorophenyl)-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide
CID 20865243
6-(2,3-dihydroindole-1-carbonyl)-7-(3-methoxypropyl)-1,3-dimethylpyrrolo[2,3-d]pyrimidine-2,4-dione
CID 42217397
7-butyl-6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1,3-dimethylpyrrolo[2,3-d]pyrimidine-2,4-dione
CID 42175991
4-[(2-fluorophenyl)carbamoyl]-2-methyl-1-oxoisoquinolin-3-olate
CID 134090481
1-(2-fluoroanilino)-N-(2-fluorophenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-5-carboxamide
CID 46255676
N-(2,3-dimethylphenyl)-1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide
CID 97361339
ethyl 4-(2-fluoroanilino)-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxylate
CID 25109868
7-butyl-N-[(2S)-2-hydroxypropyl]-1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 42217438
N-(2-fluorophenyl)-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 42758735

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-7-(2-methoxyethyl)-1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-7-(2-methoxyethyl)-1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidine-6-carboxamide (CID 42209028) is N-(2-fluorophenyl)-7-(2-methoxyethyl)-1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-7-(2-methoxyethyl)-1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-7-(2-methoxyethyl)-1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidine-6-carboxamide is COCCn1c(C(=O)Nc2ccccc2F)cc2c(=O)n(C)c(=O)n(C)c21.
What is the InChIKey of N-(2-fluorophenyl)-7-(2-methoxyethyl)-1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is CECKCXGFKXABJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O4/c1-21-16-11(17(25)22(2)18(21)26)10-14(23(16)8-9-27-3)15(24)20-13-7-5-4-6-12(13)19/h4-7,10H,8-9H2,1-3H3,(H,20,24).
What are the key properties of N-(2-fluorophenyl)-7-(2-methoxyethyl)-1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidine-6-carboxamide?
N-(2-fluorophenyl)-7-(2-methoxyethyl)-1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 374.37 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-7-(2-methoxyethyl)-1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 42209028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).