5-(4-fluorophenyl)-6-methyl-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione

C13H10FN3O2 — CID 132606201

IUPAC5-(4-fluorophenyl)-6-methyl-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione
SMILESCc1[nH]c2[nH]c(=O)[nH]c(=O)c2c1-c1ccc(F)cc1
InChIInChI=1S/C13H10FN3O2/c1-6-9(7-2-4-8(14)5-3-7)10-11(15-6)16-13(19)17-12(10)18/h2-5H,1H3,(H3,15,16,17,18,19)
InChIKeyCRXVGBXGSXIVCV-UHFFFAOYSA-N
MW259.24 g/mol
LogP1.66
Rot. Bonds1

About 5-(4-fluorophenyl)-6-methyl-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione

5-(4-fluorophenyl)-6-methyl-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione (PubChem CID 132606201) has the molecular formula C13H10FN3O2 and a molecular weight of 259.24 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-6-methyl-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(4-fluorophenyl)-6-methyl-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione
PubChem CID132606201
Molecular FormulaC13H10FN3O2
Molecular Weight259.24 g/mol
Exact Mass259.08
IUPAC Name5-(4-fluorophenyl)-6-methyl-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione
SMILESCc1[nH]c2[nH]c(=O)[nH]c(=O)c2c1-c1ccc(F)cc1
InChIInChI=1S/C13H10FN3O2/c1-6-9(7-2-4-8(14)5-3-7)10-11(15-6)16-13(19)17-12(10)18/h2-5H,1H3,(H3,15,16,17,18,19)
InChIKeyCRXVGBXGSXIVCV-UHFFFAOYSA-N
XLogP1.66
TPSA81.51 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.24
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-2-Amino-4-Oxo-6-Styryl-4,7-Dihydro-3h-Pyrrolo[2,3-D]pyrimidine-5-Carbonitrile
CID 135566677
2-Amino-5,6-Diphenyl-3h-Pyrrolo[2,3-D]pyrimidin-4(7h)-One
CID 135566678
2-amino-4-oxo-6-phenyl-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 135566498
2-Amino-5-Phenethyl-6-Phenyl-3h-Pyrrolo[2,3-D]pyrimidin-4(7h)-One
CID 135566680
6-Benzoyl-2-methyl-5-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 136951107
N-[5,6-bis[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-2-yl]octanamide
CID 149878534
6-Methyl-2-(phthalimido)pyridine
CID 692293
3-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-N-(6-methyl-pyridin-2-yl)-propionamide
CID 654298
3-[3-acetyl-5-(4-fluorophenyl)-2-methyl-1H-pyrrol-1-yl]-N-(6-methylpyridin-2-yl)propanamide
CID 5067062
2-amino-6-(4-ethylphenyl)-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 135884568
2-Amino-6-(4-fluorophenyl)-5-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 136862205
2-Amino-5,6-bis(4-fluorophenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 137100789

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-6-methyl-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 5-(4-fluorophenyl)-6-methyl-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione (CID 132606201) is 5-(4-fluorophenyl)-6-methyl-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 5-(4-fluorophenyl)-6-methyl-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 5-(4-fluorophenyl)-6-methyl-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione is Cc1[nH]c2[nH]c(=O)[nH]c(=O)c2c1-c1ccc(F)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-6-methyl-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione?
The InChIKey is CRXVGBXGSXIVCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3O2/c1-6-9(7-2-4-8(14)5-3-7)10-11(15-6)16-13(19)17-12(10)18/h2-5H,1H3,(H3,15,16,17,18,19).
What are the key properties of 5-(4-fluorophenyl)-6-methyl-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione?
5-(4-fluorophenyl)-6-methyl-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione has a molecular weight of 259.24 g/mol, XLogP of 1.66, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-6-methyl-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 132606201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).