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

C7H7N5O2 — CID 162687807

IUPAC2-amino-5-[(E)-hydroxyiminomethyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
SMILESNc1nc2[nH]cc(/C=N/O)c2c(=O)[nH]1
InChIInChI=1S/C7H7N5O2/c8-7-11-5-4(6(13)12-7)3(1-9-5)2-10-14/h1-2,14H,(H4,8,9,11,12,13)/b10-2+
InChIKeyMZWCJTKWCDBZLI-WTDSWWLTSA-N
MW193.17 g/mol
LogP-0.36
Rot. Bonds1

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

2-amino-5-[(E)-hydroxyiminomethyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 162687807) has the molecular formula C7H7N5O2 and a molecular weight of 193.17 g/mol. Its IUPAC name is 2-amino-5-[(E)-hydroxyiminomethyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-5-[(E)-hydroxyiminomethyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
PubChem CID162687807
Molecular FormulaC7H7N5O2
Molecular Weight193.17 g/mol
Exact Mass193.06
IUPAC Name2-amino-5-[(E)-hydroxyiminomethyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
SMILESNc1nc2[nH]cc(/C=N/O)c2c(=O)[nH]1
InChIInChI=1S/C7H7N5O2/c8-7-11-5-4(6(13)12-7)3(1-9-5)2-10-14/h1-2,14H,(H4,8,9,11,12,13)/b10-2+
InChIKeyMZWCJTKWCDBZLI-WTDSWWLTSA-N
XLogP-0.36
TPSA120.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 5-0.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-amino-5-[(E)-hydroxyiminomethyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-5-[(E)-methoxyiminomethyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 162687809
2-amino-5-(benzyliminomethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 135617077
2-amino-5-[(2,4-difluorophenyl)methyliminomethyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 135617079
2-amino-5-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one;hydrochloride
CID 165438335
2-amino-5-(aminomethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 135398563
2-amino-5-[(iodoamino)methyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 137316542
2-amino-5-benzyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 142732162
(NZ)-N-[(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methylidene]hydroxylamine;ethane
CID 144514753
2-amino-5-(butylaminomethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 137066531
4-[(2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)methylamino]-4-oxobutane-1-sulfonic acid
CID 138530219
5-[2-(4-acetylphenyl)ethyl]-2-amino-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one;yttrium
CID 167680396
2-amino-5-(aminomethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one;cyclopent-3-ene-1,2-diol
CID 153340006

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[(E)-hydroxyiminomethyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-amino-5-[(E)-hydroxyiminomethyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one (CID 162687807) is 2-amino-5-[(E)-hydroxyiminomethyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-amino-5-[(E)-hydroxyiminomethyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-amino-5-[(E)-hydroxyiminomethyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one is Nc1nc2[nH]cc(/C=N/O)c2c(=O)[nH]1.
What is the InChIKey of 2-amino-5-[(E)-hydroxyiminomethyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The InChIKey is MZWCJTKWCDBZLI-WTDSWWLTSA-N. The full InChI is InChI=1S/C7H7N5O2/c8-7-11-5-4(6(13)12-7)3(1-9-5)2-10-14/h1-2,14H,(H4,8,9,11,12,13)/b10-2+.
What are the key properties of 2-amino-5-[(E)-hydroxyiminomethyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
2-amino-5-[(E)-hydroxyiminomethyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 193.17 g/mol, XLogP of -0.36, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[(E)-hydroxyiminomethyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 162687807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).