2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(4-hydroxyphenyl)methylideneamino]acetamide

C15H16N4O3 — CID 135494053

IUPAC2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(4-hydroxyphenyl)methylideneamino]acetamide
SMILESCc1nc(C)c(CC(=O)NN=Cc2ccc(O)cc2)c(=O)[nH]1
InChIInChI=1S/C15H16N4O3/c1-9-13(15(22)18-10(2)17-9)7-14(21)19-16-8-11-3-5-12(20)6-4-11/h3-6,8,20H,7H2,1-2H3,(H,19,21)(H,17,18,22)
InChIKeyRJWAHTZLXVLMQI-UHFFFAOYSA-N
MW300.32 g/mol
LogP0.79
Rot. Bonds4

About 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(4-hydroxyphenyl)methylideneamino]acetamide

2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(4-hydroxyphenyl)methylideneamino]acetamide (PubChem CID 135494053) has the molecular formula C15H16N4O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(4-hydroxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(4-hydroxyphenyl)methylideneamino]acetamide
PubChem CID135494053
Molecular FormulaC15H16N4O3
Molecular Weight300.32 g/mol
Exact Mass300.12
IUPAC Name2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(4-hydroxyphenyl)methylideneamino]acetamide
SMILESCc1nc(C)c(CC(=O)NN=Cc2ccc(O)cc2)c(=O)[nH]1
InChIInChI=1S/C15H16N4O3/c1-9-13(15(22)18-10(2)17-9)7-14(21)19-16-8-11-3-5-12(20)6-4-11/h3-6,8,20H,7H2,1-2H3,(H,19,21)(H,17,18,22)
InChIKeyRJWAHTZLXVLMQI-UHFFFAOYSA-N
XLogP0.79
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'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-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(4-hydroxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(4-hydroxyphenyl)methylideneamino]acetamide (CID 135494053) is 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(4-hydroxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(4-hydroxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(4-hydroxyphenyl)methylideneamino]acetamide is Cc1nc(C)c(CC(=O)NN=Cc2ccc(O)cc2)c(=O)[nH]1.
What is the InChIKey of 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(4-hydroxyphenyl)methylideneamino]acetamide?
The InChIKey is RJWAHTZLXVLMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3/c1-9-13(15(22)18-10(2)17-9)7-14(21)19-16-8-11-3-5-12(20)6-4-11/h3-6,8,20H,7H2,1-2H3,(H,19,21)(H,17,18,22).
What are the key properties of 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(4-hydroxyphenyl)methylideneamino]acetamide?
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(4-hydroxyphenyl)methylideneamino]acetamide has a molecular weight of 300.32 g/mol, XLogP of 0.79, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(4-hydroxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 135494053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).