6-[ethyl-(2-phenylethylideneamino)amino]-3-methyl-1H-pyrimidine-2,4-dione

C15H18N4O2 — CID 3459793

IUPAC6-[ethyl-(2-phenylethylideneamino)amino]-3-methyl-1H-pyrimidine-2,4-dione
SMILESCCN(N=CCc1ccccc1)c1cc(=O)n(C)c(=O)[nH]1
InChIInChI=1S/C15H18N4O2/c1-3-19(13-11-14(20)18(2)15(21)17-13)16-10-9-12-7-5-4-6-8-12/h4-8,10-11H,3,9H2,1-2H3,(H,17,21)
InChIKeyLIXLNPGNSSRLTG-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.13
Rot. Bonds5

About 6-[ethyl-(2-phenylethylideneamino)amino]-3-methyl-1H-pyrimidine-2,4-dione

6-[ethyl-(2-phenylethylideneamino)amino]-3-methyl-1H-pyrimidine-2,4-dione (PubChem CID 3459793) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 6-[ethyl-(2-phenylethylideneamino)amino]-3-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[ethyl-(2-phenylethylideneamino)amino]-3-methyl-1H-pyrimidine-2,4-dione
PubChem CID3459793
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name6-[ethyl-(2-phenylethylideneamino)amino]-3-methyl-1H-pyrimidine-2,4-dione
SMILESCCN(N=CCc1ccccc1)c1cc(=O)n(C)c(=O)[nH]1
InChIInChI=1S/C15H18N4O2/c1-3-19(13-11-14(20)18(2)15(21)17-13)16-10-9-12-7-5-4-6-8-12/h4-8,10-11H,3,9H2,1-2H3,(H,17,21)
InChIKeyLIXLNPGNSSRLTG-UHFFFAOYSA-N
XLogP1.13
TPSA70.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.13
H-Bond Donors ≤ 51
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-[ethyl-(2-phenylethylideneamino)amino]-3-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[ethyl-(2-phenylethylideneamino)amino]-3-methyl-1H-pyrimidine-2,4-dione (CID 3459793) is 6-[ethyl-(2-phenylethylideneamino)amino]-3-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[ethyl-(2-phenylethylideneamino)amino]-3-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[ethyl-(2-phenylethylideneamino)amino]-3-methyl-1H-pyrimidine-2,4-dione is CCN(N=CCc1ccccc1)c1cc(=O)n(C)c(=O)[nH]1.
What is the InChIKey of 6-[ethyl-(2-phenylethylideneamino)amino]-3-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is LIXLNPGNSSRLTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-3-19(13-11-14(20)18(2)15(21)17-13)16-10-9-12-7-5-4-6-8-12/h4-8,10-11H,3,9H2,1-2H3,(H,17,21).
What are the key properties of 6-[ethyl-(2-phenylethylideneamino)amino]-3-methyl-1H-pyrimidine-2,4-dione?
6-[ethyl-(2-phenylethylideneamino)amino]-3-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 286.33 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[ethyl-(2-phenylethylideneamino)amino]-3-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 3459793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).