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

C8H9N5O2 — CID 162687809

IUPAC2-amino-5-[(E)-methoxyiminomethyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
SMILESCO/N=C/c1c[nH]c2nc(N)[nH]c(=O)c12
InChIInChI=1S/C8H9N5O2/c1-15-11-3-4-2-10-6-5(4)7(14)13-8(9)12-6/h2-3H,1H3,(H4,9,10,12,13,14)/b11-3+
InChIKeyHHDPJSNMORKRLW-QDEBKDIKSA-N
MW207.19 g/mol
LogP-0.19
Rot. Bonds2

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

2-amino-5-[(E)-methoxyiminomethyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 162687809) has the molecular formula C8H9N5O2 and a molecular weight of 207.19 g/mol. Its IUPAC name is 2-amino-5-[(E)-methoxyiminomethyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-5-[(E)-methoxyiminomethyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
PubChem CID162687809
Molecular FormulaC8H9N5O2
Molecular Weight207.19 g/mol
Exact Mass207.08
IUPAC Name2-amino-5-[(E)-methoxyiminomethyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
SMILESCO/N=C/c1c[nH]c2nc(N)[nH]c(=O)c12
InChIInChI=1S/C8H9N5O2/c1-15-11-3-4-2-10-6-5(4)7(14)13-8(9)12-6/h2-3H,1H3,(H4,9,10,12,13,14)/b11-3+
InChIKeyHHDPJSNMORKRLW-QDEBKDIKSA-N
XLogP-0.19
TPSA109.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[(E)-methoxyiminomethyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-amino-5-[(E)-methoxyiminomethyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one (CID 162687809) is 2-amino-5-[(E)-methoxyiminomethyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-amino-5-[(E)-methoxyiminomethyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-amino-5-[(E)-methoxyiminomethyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one is CO/N=C/c1c[nH]c2nc(N)[nH]c(=O)c12.
What is the InChIKey of 2-amino-5-[(E)-methoxyiminomethyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The InChIKey is HHDPJSNMORKRLW-QDEBKDIKSA-N. The full InChI is InChI=1S/C8H9N5O2/c1-15-11-3-4-2-10-6-5(4)7(14)13-8(9)12-6/h2-3H,1H3,(H4,9,10,12,13,14)/b11-3+.
What are the key properties of 2-amino-5-[(E)-methoxyiminomethyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
2-amino-5-[(E)-methoxyiminomethyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 207.19 g/mol, XLogP of -0.19, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[(E)-methoxyiminomethyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 162687809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).