1,3-dimethyl-6-[(2Z)-2-(1-phenylethylidene)hydrazinyl]pyrimidine-2,4-dione

C14H16N4O2 — CID 134923438

IUPAC1,3-dimethyl-6-[(2Z)-2-(1-phenylethylidene)hydrazinyl]pyrimidine-2,4-dione
SMILESC/C(=N/Nc1cc(=O)n(C)c(=O)n1C)c1ccccc1
InChIInChI=1S/C14H16N4O2/c1-10(11-7-5-4-6-8-11)15-16-12-9-13(19)18(3)14(20)17(12)2/h4-9,16H,1-3H3/b15-10-
InChIKeyGBNHSJWYKRAKKV-GDNBJRDFSA-N
MW272.31 g/mol
LogP0.92
Rot. Bonds3

About 1,3-dimethyl-6-[(2Z)-2-(1-phenylethylidene)hydrazinyl]pyrimidine-2,4-dione

1,3-dimethyl-6-[(2Z)-2-(1-phenylethylidene)hydrazinyl]pyrimidine-2,4-dione (PubChem CID 134923438) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 1,3-dimethyl-6-[(2Z)-2-(1-phenylethylidene)hydrazinyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-6-[(2Z)-2-(1-phenylethylidene)hydrazinyl]pyrimidine-2,4-dione
PubChem CID134923438
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name1,3-dimethyl-6-[(2Z)-2-(1-phenylethylidene)hydrazinyl]pyrimidine-2,4-dione
SMILESC/C(=N/Nc1cc(=O)n(C)c(=O)n1C)c1ccccc1
InChIInChI=1S/C14H16N4O2/c1-10(11-7-5-4-6-8-11)15-16-12-9-13(19)18(3)14(20)17(12)2/h4-9,16H,1-3H3/b15-10-
InChIKeyGBNHSJWYKRAKKV-GDNBJRDFSA-N
XLogP0.92
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 1,3-dimethyl-6-[(2Z)-2-(1-phenylethylidene)hydrazinyl]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-6-[(2Z)-2-(1-phenylethylidene)hydrazinyl]pyrimidine-2,4-dione (CID 134923438) is 1,3-dimethyl-6-[(2Z)-2-(1-phenylethylidene)hydrazinyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-6-[(2Z)-2-(1-phenylethylidene)hydrazinyl]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-6-[(2Z)-2-(1-phenylethylidene)hydrazinyl]pyrimidine-2,4-dione is C/C(=N/Nc1cc(=O)n(C)c(=O)n1C)c1ccccc1.
What is the InChIKey of 1,3-dimethyl-6-[(2Z)-2-(1-phenylethylidene)hydrazinyl]pyrimidine-2,4-dione?
The InChIKey is GBNHSJWYKRAKKV-GDNBJRDFSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-10(11-7-5-4-6-8-11)15-16-12-9-13(19)18(3)14(20)17(12)2/h4-9,16H,1-3H3/b15-10-.
What are the key properties of 1,3-dimethyl-6-[(2Z)-2-(1-phenylethylidene)hydrazinyl]pyrimidine-2,4-dione?
1,3-dimethyl-6-[(2Z)-2-(1-phenylethylidene)hydrazinyl]pyrimidine-2,4-dione has a molecular weight of 272.31 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-[(2Z)-2-(1-phenylethylidene)hydrazinyl]pyrimidine-2,4-dione is sourced from PubChem (CID 134923438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).