(5E)-6-amino-5-hydroxyimino-2-methoxy-3-methyl-2H-pyrimidin-4-one

C6H10N4O3 — CID 177444714

IUPAC(5E)-6-amino-5-hydroxyimino-2-methoxy-3-methyl-2H-pyrimidin-4-one
SMILESCOC1N=C(N)/C(=N\O)C(=O)N1C
InChIInChI=1S/C6H10N4O3/c1-10-5(11)3(9-12)4(7)8-6(10)13-2/h6,12H,1-2H3,(H2,7,8)/b9-3+
InChIKeyNQBLOVOGWAONKC-YCRREMRBSA-N
MW186.17 g/mol
LogP-1.42
Rot. Bonds1

About (5E)-6-amino-5-hydroxyimino-2-methoxy-3-methyl-2H-pyrimidin-4-one

(5E)-6-amino-5-hydroxyimino-2-methoxy-3-methyl-2H-pyrimidin-4-one (PubChem CID 177444714) has the molecular formula C6H10N4O3 and a molecular weight of 186.17 g/mol. Its IUPAC name is (5E)-6-amino-5-hydroxyimino-2-methoxy-3-methyl-2H-pyrimidin-4-one.

Molecular Properties

Compound Name(5E)-6-amino-5-hydroxyimino-2-methoxy-3-methyl-2H-pyrimidin-4-one
PubChem CID177444714
Molecular FormulaC6H10N4O3
Molecular Weight186.17 g/mol
Exact Mass186.08
IUPAC Name(5E)-6-amino-5-hydroxyimino-2-methoxy-3-methyl-2H-pyrimidin-4-one
SMILESCOC1N=C(N)/C(=N\O)C(=O)N1C
InChIInChI=1S/C6H10N4O3/c1-10-5(11)3(9-12)4(7)8-6(10)13-2/h6,12H,1-2H3,(H2,7,8)/b9-3+
InChIKeyNQBLOVOGWAONKC-YCRREMRBSA-N
XLogP-1.42
TPSA100.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.17
LogP ≤ 5-1.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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'}

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Related Compounds

6-amino-5-hydroxyimino-3-methyl-2-methylsulfanyl-2H-pyrimidin-4-one
CID 136773049
2,4-Diamino-5-hydroxyimino-1,2-dihydropyrimidin-6-one
CID 154042915
N-(4-amino-1-methyl-2,6-dioxopyrimidin-5-ylidene)acetamide;hydrate
CID 71303636
N-(4-amino-1-methyl-2,6-dioxopyrimidin-5-ylidene)acetamide
CID 71303637
6-Amino-1,3-dimethyl-5-methyliminopyrimidin-1-ium-2,4-dione
CID 76844507
(5E)-6-amino-5-hydroxyimino-3-methyl-2-methylsulfanyl-2H-pyrimidin-4-one
CID 136461050
6-Amino-2,3-dihydro-2-methoxy-3-methyl-5-nitroso-4(1H)-pyrimidinone
CID 165350408

Frequently Asked Questions

What is the IUPAC name of (5E)-6-amino-5-hydroxyimino-2-methoxy-3-methyl-2H-pyrimidin-4-one?
The IUPAC name of (5E)-6-amino-5-hydroxyimino-2-methoxy-3-methyl-2H-pyrimidin-4-one (CID 177444714) is (5E)-6-amino-5-hydroxyimino-2-methoxy-3-methyl-2H-pyrimidin-4-one.
What is the SMILES notation for (5E)-6-amino-5-hydroxyimino-2-methoxy-3-methyl-2H-pyrimidin-4-one?
The canonical SMILES for (5E)-6-amino-5-hydroxyimino-2-methoxy-3-methyl-2H-pyrimidin-4-one is COC1N=C(N)/C(=N\O)C(=O)N1C.
What is the InChIKey of (5E)-6-amino-5-hydroxyimino-2-methoxy-3-methyl-2H-pyrimidin-4-one?
The InChIKey is NQBLOVOGWAONKC-YCRREMRBSA-N. The full InChI is InChI=1S/C6H10N4O3/c1-10-5(11)3(9-12)4(7)8-6(10)13-2/h6,12H,1-2H3,(H2,7,8)/b9-3+.
What are the key properties of (5E)-6-amino-5-hydroxyimino-2-methoxy-3-methyl-2H-pyrimidin-4-one?
(5E)-6-amino-5-hydroxyimino-2-methoxy-3-methyl-2H-pyrimidin-4-one has a molecular weight of 186.17 g/mol, XLogP of -1.42, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-6-amino-5-hydroxyimino-2-methoxy-3-methyl-2H-pyrimidin-4-one is sourced from PubChem (CID 177444714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).