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

C13H14N4O3 — CID 135558986

IUPAC6-hydroxy-5-[(E)-C-methyl-N-(N-methylanilino)carbonimidoyl]-1H-pyrimidine-2,4-dione
SMILESC/C(=N\N(C)c1ccccc1)c1c(O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C13H14N4O3/c1-8(10-11(18)14-13(20)15-12(10)19)16-17(2)9-6-4-3-5-7-9/h3-7H,1-2H3,(H3,14,15,18,19,20)/b16-8+
InChIKeyKDAXKIMXSLJDPJ-LZYBPNLTSA-N
MW274.28 g/mol
LogP0.63
Rot. Bonds3

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

6-hydroxy-5-[(E)-C-methyl-N-(N-methylanilino)carbonimidoyl]-1H-pyrimidine-2,4-dione (PubChem CID 135558986) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is 6-hydroxy-5-[(E)-C-methyl-N-(N-methylanilino)carbonimidoyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-5-[(E)-C-methyl-N-(N-methylanilino)carbonimidoyl]-1H-pyrimidine-2,4-dione
PubChem CID135558986
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC Name6-hydroxy-5-[(E)-C-methyl-N-(N-methylanilino)carbonimidoyl]-1H-pyrimidine-2,4-dione
SMILESC/C(=N\N(C)c1ccccc1)c1c(O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C13H14N4O3/c1-8(10-11(18)14-13(20)15-12(10)19)16-17(2)9-6-4-3-5-7-9/h3-7H,1-2H3,(H3,14,15,18,19,20)/b16-8+
InChIKeyKDAXKIMXSLJDPJ-LZYBPNLTSA-N
XLogP0.63
TPSA101.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 50.63
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 6-hydroxy-5-[(E)-C-methyl-N-(N-methylanilino)carbonimidoyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-5-[(E)-C-methyl-N-(N-methylanilino)carbonimidoyl]-1H-pyrimidine-2,4-dione (CID 135558986) is 6-hydroxy-5-[(E)-C-methyl-N-(N-methylanilino)carbonimidoyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-5-[(E)-C-methyl-N-(N-methylanilino)carbonimidoyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-5-[(E)-C-methyl-N-(N-methylanilino)carbonimidoyl]-1H-pyrimidine-2,4-dione is C/C(=N\N(C)c1ccccc1)c1c(O)[nH]c(=O)[nH]c1=O.
What is the InChIKey of 6-hydroxy-5-[(E)-C-methyl-N-(N-methylanilino)carbonimidoyl]-1H-pyrimidine-2,4-dione?
The InChIKey is KDAXKIMXSLJDPJ-LZYBPNLTSA-N. The full InChI is InChI=1S/C13H14N4O3/c1-8(10-11(18)14-13(20)15-12(10)19)16-17(2)9-6-4-3-5-7-9/h3-7H,1-2H3,(H3,14,15,18,19,20)/b16-8+.
What are the key properties of 6-hydroxy-5-[(E)-C-methyl-N-(N-methylanilino)carbonimidoyl]-1H-pyrimidine-2,4-dione?
6-hydroxy-5-[(E)-C-methyl-N-(N-methylanilino)carbonimidoyl]-1H-pyrimidine-2,4-dione has a molecular weight of 274.28 g/mol, XLogP of 0.63, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-[(E)-C-methyl-N-(N-methylanilino)carbonimidoyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 135558986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).