7-benzyl-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one

C13H11N3O — CID 135449028

IUPAC7-benzyl-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2c(Cc3ccccc3)c[nH]c12
InChIInChI=1S/C13H11N3O/c17-13-12-11(15-8-16-13)10(7-14-12)6-9-4-2-1-3-5-9/h1-5,7-8,14H,6H2,(H,15,16,17)
InChIKeyXTZNEYRTGZTVGE-UHFFFAOYSA-N
MW225.25 g/mol
LogP1.84
Rot. Bonds2

About 7-benzyl-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one

7-benzyl-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one (PubChem CID 135449028) has the molecular formula C13H11N3O and a molecular weight of 225.25 g/mol. Its IUPAC name is 7-benzyl-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-benzyl-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
PubChem CID135449028
Molecular FormulaC13H11N3O
Molecular Weight225.25 g/mol
Exact Mass225.09
IUPAC Name7-benzyl-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2c(Cc3ccccc3)c[nH]c12
InChIInChI=1S/C13H11N3O/c17-13-12-11(15-8-16-13)10(7-14-12)6-9-4-2-1-3-5-9/h1-5,7-8,14H,6H2,(H,15,16,17)
InChIKeyXTZNEYRTGZTVGE-UHFFFAOYSA-N
XLogP1.84
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Peldesine
CID 135413525
9-Deazahypoxanthine
CID 135488881
[5-(2-Amino-4-Oxo-4,5-Dihydro-3h-Pyrrolo[3,2-D]pyrimidin-7-Yl)-1,1-Difluoropentyl]phosphonic Acid
CID 135566455
9-Deaza-9-(3-thienylmethyl)guanine
CID 135512468
3-methyl-2-[[(3R,5R)-1-methyl-5-phenyl-piperidin-3-yl]amino]-5H-pyrrolo[3,2-d]pyrimidin-4-one
CID 154641364
3-((4-Hydroxy-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methylamino)-propanol
CID 135858789
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-(3,4-dichloro-benzyl)-3,5-dihydro-pyrrolo[3,2-d]pyrimidin-4-one
CID 135412825
2-amino-7-benzyl-3H-pyrrolo[3,2-d]pyrimidin-4(5H)-one
CID 135433598
2-Amino-7-(4-chloro-benzyl)-3,5-dihydro-pyrrolo[3,2-d]pyrimidin-4-one
CID 135457964

Frequently Asked Questions

What is the IUPAC name of 7-benzyl-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The IUPAC name of 7-benzyl-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one (CID 135449028) is 7-benzyl-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 7-benzyl-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The canonical SMILES for 7-benzyl-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one is O=c1[nH]cnc2c(Cc3ccccc3)c[nH]c12.
What is the InChIKey of 7-benzyl-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The InChIKey is XTZNEYRTGZTVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O/c17-13-12-11(15-8-16-13)10(7-14-12)6-9-4-2-1-3-5-9/h1-5,7-8,14H,6H2,(H,15,16,17).
What are the key properties of 7-benzyl-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
7-benzyl-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one has a molecular weight of 225.25 g/mol, XLogP of 1.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 135449028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).