7-(4-fluorophenyl)-5-methyl-3H-pyrrolo[3,2-d]pyrimidin-4-one

C13H10FN3O — CID 135630716

IUPAC7-(4-fluorophenyl)-5-methyl-3H-pyrrolo[3,2-d]pyrimidin-4-one
SMILESCn1cc(-c2ccc(F)cc2)c2nc[nH]c(=O)c21
InChIInChI=1S/C13H10FN3O/c1-17-6-10(8-2-4-9(14)5-3-8)11-12(17)13(18)16-7-15-11/h2-7H,1H3,(H,15,16,18)
InChIKeyPZQHTGGMJXMIDR-UHFFFAOYSA-N
MW243.24 g/mol
LogP2.07
Rot. Bonds1

About 7-(4-fluorophenyl)-5-methyl-3H-pyrrolo[3,2-d]pyrimidin-4-one

7-(4-fluorophenyl)-5-methyl-3H-pyrrolo[3,2-d]pyrimidin-4-one (PubChem CID 135630716) has the molecular formula C13H10FN3O and a molecular weight of 243.24 g/mol. Its IUPAC name is 7-(4-fluorophenyl)-5-methyl-3H-pyrrolo[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-(4-fluorophenyl)-5-methyl-3H-pyrrolo[3,2-d]pyrimidin-4-one
PubChem CID135630716
Molecular FormulaC13H10FN3O
Molecular Weight243.24 g/mol
Exact Mass243.08
IUPAC Name7-(4-fluorophenyl)-5-methyl-3H-pyrrolo[3,2-d]pyrimidin-4-one
SMILESCn1cc(-c2ccc(F)cc2)c2nc[nH]c(=O)c21
InChIInChI=1S/C13H10FN3O/c1-17-6-10(8-2-4-9(14)5-3-8)11-12(17)13(18)16-7-15-11/h2-7H,1H3,(H,15,16,18)
InChIKeyPZQHTGGMJXMIDR-UHFFFAOYSA-N
XLogP2.07
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.24
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Peldesine
CID 135413525
3-methyl-2-[[(3R,5R)-1-methyl-5-phenyl-piperidin-3-yl]amino]-5H-pyrrolo[3,2-d]pyrimidin-4-one
CID 154641364
8-Fluoro-5-methyl-3-(pyridin-2-ylmethyl)pyrimido[5,4-b]indol-4-one
CID 1854647
2-Amino-7-(3-trifluoromethyl-benzyl)-3,5-dihydro-pyrrolo[3,2-d]pyrimidin-4-one
CID 135400988
2-Amino-7-(3-methyl-benzyl)-3,5-dihydro-pyrrolo[3,2-d]pyrimidin-4-one
CID 135412717
2-Amino-7-(3-fluoro-benzyl)-3,5-dihydro-pyrrolo[3,2-d]pyrimidin-4-one
CID 135412719
2-amino-7-benzyl-3H-pyrrolo[3,2-d]pyrimidin-4(5H)-one
CID 135433598
7-Benzyl-3,5-dihydro-pyrrolo[3,2-d]pyrimidin-4-one
CID 135449028
2-Amino-7-(4-chloro-benzyl)-3,5-dihydro-pyrrolo[3,2-d]pyrimidin-4-one
CID 135457964
2-amino-7-(3-chlorobenzyl)-3H-pyrrolo[3,2-d]pyrimidin-4(5H)-one
CID 135457965
3-(3-Chloro-phenyl)-3-(4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-7-yl)-propionitrile
CID 135464106
2-Amino-7-(2-chloro-benzyl)-3,5-dihydro-pyrrolo[3,2-d]pyrimidin-4-one
CID 135474256

Frequently Asked Questions

What is the IUPAC name of 7-(4-fluorophenyl)-5-methyl-3H-pyrrolo[3,2-d]pyrimidin-4-one?
The IUPAC name of 7-(4-fluorophenyl)-5-methyl-3H-pyrrolo[3,2-d]pyrimidin-4-one (CID 135630716) is 7-(4-fluorophenyl)-5-methyl-3H-pyrrolo[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 7-(4-fluorophenyl)-5-methyl-3H-pyrrolo[3,2-d]pyrimidin-4-one?
The canonical SMILES for 7-(4-fluorophenyl)-5-methyl-3H-pyrrolo[3,2-d]pyrimidin-4-one is Cn1cc(-c2ccc(F)cc2)c2nc[nH]c(=O)c21.
What is the InChIKey of 7-(4-fluorophenyl)-5-methyl-3H-pyrrolo[3,2-d]pyrimidin-4-one?
The InChIKey is PZQHTGGMJXMIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3O/c1-17-6-10(8-2-4-9(14)5-3-8)11-12(17)13(18)16-7-15-11/h2-7H,1H3,(H,15,16,18).
What are the key properties of 7-(4-fluorophenyl)-5-methyl-3H-pyrrolo[3,2-d]pyrimidin-4-one?
7-(4-fluorophenyl)-5-methyl-3H-pyrrolo[3,2-d]pyrimidin-4-one has a molecular weight of 243.24 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluorophenyl)-5-methyl-3H-pyrrolo[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 135630716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).