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

C13H10N4O2 — CID 135463627

IUPAC2-amino-7-benzoyl-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
SMILESNc1nc2c(C(=O)c3ccccc3)c[nH]c2c(=O)[nH]1
InChIInChI=1S/C13H10N4O2/c14-13-16-9-8(6-15-10(9)12(19)17-13)11(18)7-4-2-1-3-5-7/h1-6,15H,(H3,14,16,17,19)
InChIKeyFXUZAWGUBCPFPH-UHFFFAOYSA-N
MW254.25 g/mol
LogP1.06
Rot. Bonds2

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

2-amino-7-benzoyl-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one (PubChem CID 135463627) has the molecular formula C13H10N4O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 2-amino-7-benzoyl-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-7-benzoyl-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
PubChem CID135463627
Molecular FormulaC13H10N4O2
Molecular Weight254.25 g/mol
Exact Mass254.08
IUPAC Name2-amino-7-benzoyl-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
SMILESNc1nc2c(C(=O)c3ccccc3)c[nH]c2c(=O)[nH]1
InChIInChI=1S/C13H10N4O2/c14-13-16-9-8(6-15-10(9)12(19)17-13)11(18)7-4-2-1-3-5-7/h1-6,15H,(H3,14,16,17,19)
InChIKeyFXUZAWGUBCPFPH-UHFFFAOYSA-N
XLogP1.06
TPSA104.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

Peldesine
CID 135413525
[5-(2-Amino-4-Oxo-4,5-Dihydro-3h-Pyrrolo[3,2-D]pyrimidin-7-Yl)-1,1-Difluoropentyl]phosphonic Acid
CID 135566455
3-methyl-2-[[(3R,5R)-1-methyl-5-phenyl-piperidin-3-yl]amino]-5H-pyrrolo[3,2-d]pyrimidin-4-one
CID 154641364
N,N-dimethyl-4-(2-phenylacetyl)-1H-pyrrole-2-carboxamide
CID 1473194
N-[(E)-(dimethylamino)methylidene]-4-(4-fluorobenzoyl)-1H-pyrrole-2-carboxamide
CID 3654973
4-(2,6-difluorobenzoyl)-N-pyridin-4-yl-1H-pyrrole-2-carboxamide
CID 118959076
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
7-Benzyl-3,5-dihydro-pyrrolo[3,2-d]pyrimidin-4-one
CID 135449028

Frequently Asked Questions

What is the IUPAC name of 2-amino-7-benzoyl-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-amino-7-benzoyl-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one (CID 135463627) is 2-amino-7-benzoyl-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-amino-7-benzoyl-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-amino-7-benzoyl-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one is Nc1nc2c(C(=O)c3ccccc3)c[nH]c2c(=O)[nH]1.
What is the InChIKey of 2-amino-7-benzoyl-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The InChIKey is FXUZAWGUBCPFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O2/c14-13-16-9-8(6-15-10(9)12(19)17-13)11(18)7-4-2-1-3-5-7/h1-6,15H,(H3,14,16,17,19).
What are the key properties of 2-amino-7-benzoyl-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
2-amino-7-benzoyl-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one has a molecular weight of 254.25 g/mol, XLogP of 1.06, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-benzoyl-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 135463627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).