2,6-diamino-7-benzyl-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one

C13H13N5O — CID 135400900

IUPAC2,6-diamino-7-benzyl-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
SMILESNc1nc2c(Cc3ccccc3)c(N)[nH]c2c(=O)[nH]1
InChIInChI=1S/C13H13N5O/c14-11-8(6-7-4-2-1-3-5-7)9-10(16-11)12(19)18-13(15)17-9/h1-5,16H,6,14H2,(H3,15,17,18,19)
InChIKeyDRZWQDDTKBZKEG-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.01
Rot. Bonds2

About 2,6-diamino-7-benzyl-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one

2,6-diamino-7-benzyl-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one (PubChem CID 135400900) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is 2,6-diamino-7-benzyl-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2,6-diamino-7-benzyl-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
PubChem CID135400900
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC Name2,6-diamino-7-benzyl-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
SMILESNc1nc2c(Cc3ccccc3)c(N)[nH]c2c(=O)[nH]1
InChIInChI=1S/C13H13N5O/c14-11-8(6-7-4-2-1-3-5-7)9-10(16-11)12(19)18-13(15)17-9/h1-5,16H,6,14H2,(H3,15,17,18,19)
InChIKeyDRZWQDDTKBZKEG-UHFFFAOYSA-N
XLogP1.01
TPSA113.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-diamino-7-benzyl-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The IUPAC name of 2,6-diamino-7-benzyl-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one (CID 135400900) is 2,6-diamino-7-benzyl-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2,6-diamino-7-benzyl-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2,6-diamino-7-benzyl-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one is Nc1nc2c(Cc3ccccc3)c(N)[nH]c2c(=O)[nH]1.
What is the InChIKey of 2,6-diamino-7-benzyl-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The InChIKey is DRZWQDDTKBZKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O/c14-11-8(6-7-4-2-1-3-5-7)9-10(16-11)12(19)18-13(15)17-9/h1-5,16H,6,14H2,(H3,15,17,18,19).
What are the key properties of 2,6-diamino-7-benzyl-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
2,6-diamino-7-benzyl-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one has a molecular weight of 255.28 g/mol, XLogP of 1.01, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diamino-7-benzyl-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 135400900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).