5-[(E)-N-hydroxy-C-methylcarbonimidoyl]-6-methyl-1H-pyrimidine-2,4-dione

C7H9N3O3 — CID 137262645

IUPAC5-[(E)-N-hydroxy-C-methylcarbonimidoyl]-6-methyl-1H-pyrimidine-2,4-dione
SMILESC/C(=N\O)c1c(C)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C7H9N3O3/c1-3-5(4(2)10-13)6(11)9-7(12)8-3/h13H,1-2H3,(H2,8,9,11,12)/b10-4+
InChIKeyCOPQTADXRBHNQT-ONNFQVAWSA-N
MW183.17 g/mol
LogP-0.43
Rot. Bonds1

About 5-[(E)-N-hydroxy-C-methylcarbonimidoyl]-6-methyl-1H-pyrimidine-2,4-dione

5-[(E)-N-hydroxy-C-methylcarbonimidoyl]-6-methyl-1H-pyrimidine-2,4-dione (PubChem CID 137262645) has the molecular formula C7H9N3O3 and a molecular weight of 183.17 g/mol. Its IUPAC name is 5-[(E)-N-hydroxy-C-methylcarbonimidoyl]-6-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(E)-N-hydroxy-C-methylcarbonimidoyl]-6-methyl-1H-pyrimidine-2,4-dione
PubChem CID137262645
Molecular FormulaC7H9N3O3
Molecular Weight183.17 g/mol
Exact Mass183.06
IUPAC Name5-[(E)-N-hydroxy-C-methylcarbonimidoyl]-6-methyl-1H-pyrimidine-2,4-dione
SMILESC/C(=N\O)c1c(C)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C7H9N3O3/c1-3-5(4(2)10-13)6(11)9-7(12)8-3/h13H,1-2H3,(H2,8,9,11,12)/b10-4+
InChIKeyCOPQTADXRBHNQT-ONNFQVAWSA-N
XLogP-0.43
TPSA98.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 5-[(E)-N-hydroxy-C-methylcarbonimidoyl]-6-methyl-1H-pyrimidine-2,4-dione 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

5-[(Z)-N-(dibenzylamino)-C-methylcarbonimidoyl]-6-methyl-1H-pyrimidine-2,4-dione
CID 172942191
5-ethanehydrazonoyl-6-hydroxy-1H-pyrimidine-2,4-dione
CID 154186624
(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl) acetate
CID 14341509
N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide
CID 45071779
3,5-diacetyl-4,6-dimethyl-1H-pyridin-2-one
CID 15555017
2-[(E)-1-(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)ethylideneamino]guanidine
CID 135625814
6-methyl-5-methylsulfanyl-1H-pyrimidine-2,4-dione
CID 12535961
4-methyl-5-prop-1-en-2-yl-1,3-dihydroimidazol-2-one
CID 175626074
methyl 2,4-dichloro-6-methylpyrimidine-5-carboxylate;methyl 6-methyl-2,4-dioxo-1H-pyrimidine-5-carboxylate
CID 158349743
N-[(Z)-1-(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)ethylideneamino]-4-methylbenzamide
CID 135912944
6-methyl-5-(trifluoromethyl)-1H-pyrimidine-2,4-dione
CID 67893557
6-methyl-2,4-dioxo-1H-pyrimidine-5-diazonium
CID 102482143

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-N-hydroxy-C-methylcarbonimidoyl]-6-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[(E)-N-hydroxy-C-methylcarbonimidoyl]-6-methyl-1H-pyrimidine-2,4-dione (CID 137262645) is 5-[(E)-N-hydroxy-C-methylcarbonimidoyl]-6-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[(E)-N-hydroxy-C-methylcarbonimidoyl]-6-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[(E)-N-hydroxy-C-methylcarbonimidoyl]-6-methyl-1H-pyrimidine-2,4-dione is C/C(=N\O)c1c(C)[nH]c(=O)[nH]c1=O.
What is the InChIKey of 5-[(E)-N-hydroxy-C-methylcarbonimidoyl]-6-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is COPQTADXRBHNQT-ONNFQVAWSA-N. The full InChI is InChI=1S/C7H9N3O3/c1-3-5(4(2)10-13)6(11)9-7(12)8-3/h13H,1-2H3,(H2,8,9,11,12)/b10-4+.
What are the key properties of 5-[(E)-N-hydroxy-C-methylcarbonimidoyl]-6-methyl-1H-pyrimidine-2,4-dione?
5-[(E)-N-hydroxy-C-methylcarbonimidoyl]-6-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 183.17 g/mol, XLogP of -0.43, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-N-hydroxy-C-methylcarbonimidoyl]-6-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 137262645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).