2-amino-7-(furan-2-ylmethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one

C11H10N4O2 — CID 135457912

IUPAC2-amino-7-(furan-2-ylmethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
SMILESNc1nc2c(Cc3ccco3)c[nH]c2c(=O)[nH]1
InChIInChI=1S/C11H10N4O2/c12-11-14-8-6(4-7-2-1-3-17-7)5-13-9(8)10(16)15-11/h1-3,5,13H,4H2,(H3,12,14,15,16)
InChIKeyYABIPPNOXRKWBX-UHFFFAOYSA-N
MW230.23 g/mol
LogP1.02
Rot. Bonds2

About 2-amino-7-(furan-2-ylmethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one

2-amino-7-(furan-2-ylmethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one (PubChem CID 135457912) has the molecular formula C11H10N4O2 and a molecular weight of 230.23 g/mol. Its IUPAC name is 2-amino-7-(furan-2-ylmethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-7-(furan-2-ylmethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
PubChem CID135457912
Molecular FormulaC11H10N4O2
Molecular Weight230.23 g/mol
Exact Mass230.08
IUPAC Name2-amino-7-(furan-2-ylmethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
SMILESNc1nc2c(Cc3ccco3)c[nH]c2c(=O)[nH]1
InChIInChI=1S/C11H10N4O2/c12-11-14-8-6(4-7-2-1-3-17-7)5-13-9(8)10(16)15-11/h1-3,5,13H,4H2,(H3,12,14,15,16)
InChIKeyYABIPPNOXRKWBX-UHFFFAOYSA-N
XLogP1.02
TPSA100.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-Amino-7-(3-methoxy-benzyl)-3,5-dihydro-pyrrolo[3,2-d]pyrimidin-4-one
CID 135453917
2-amino-7-(4-(benzyloxy)benzyl)-3H-pyrrolo[3,2-d]pyrimidin-4(5H)-one
CID 135464196
2-Amino-7-(3-benzyloxy-benzyl)-3,5-dihydro-pyrrolo[3,2-d]pyrimidin-4-one
CID 135492524
7-(3-Benzyloxy-benzyl)-3,5-dihydro-pyrrolo[3,2-d]pyrimidin-4-one
CID 135499983
2-Amino-7-(3-phenoxy-benzyl)-3,5-dihydro-pyrrolo[3,2-d]pyrimidin-4-one
CID 136055840
2,6-Diamino-7-furan-2-ylmethyl-3,5-dihydro-pyrrolo[3,2-d]pyrimidin-4-one
CID 135776353
N-(furan-2-ylmethyl)-2-((3-methyl-4-oxo-7-phenyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl)thio)acetamide
CID 27371767
2-({3-butyl-4-oxo-7-phenyl-3H,4H,5H-pyrrolo[3,2-d]pyrimidin-2-yl}sulfanyl)-N-[(furan-2-yl)methyl]acetamide
CID 27622213
N-(furan-2-ylmethyl)-2-[3-(2-methoxyethyl)-4-oxo-7-phenyl-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl]acetamide
CID 49673540
2-(7-(2-fluorophenyl)-2,4-dioxo-1H-pyrrolo[3,2-d]pyrimidin-3(2H,4H,5H)-yl)-N-(furan-2-ylmethyl)acetamide
CID 45498928
2-(3-ethyl-4-oxo-7-phenyl-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)-N-(furan-2-ylmethyl)acetamide
CID 49673954
N-(furan-2-ylmethyl)-2-(4-oxo-7-phenyl-3-propan-2-ylpyrrolo[3,2-d]pyrimidin-5-yl)acetamide
CID 53131748

Frequently Asked Questions

What is the IUPAC name of 2-amino-7-(furan-2-ylmethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-amino-7-(furan-2-ylmethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one (CID 135457912) is 2-amino-7-(furan-2-ylmethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-amino-7-(furan-2-ylmethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-amino-7-(furan-2-ylmethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one is Nc1nc2c(Cc3ccco3)c[nH]c2c(=O)[nH]1.
What is the InChIKey of 2-amino-7-(furan-2-ylmethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The InChIKey is YABIPPNOXRKWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O2/c12-11-14-8-6(4-7-2-1-3-17-7)5-13-9(8)10(16)15-11/h1-3,5,13H,4H2,(H3,12,14,15,16).
What are the key properties of 2-amino-7-(furan-2-ylmethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
2-amino-7-(furan-2-ylmethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one has a molecular weight of 230.23 g/mol, XLogP of 1.02, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-(furan-2-ylmethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 135457912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).