2-[2-(methylamino)ethyl]-5-phenyl-1H-pyrimidine-4,6-dione

C13H15N3O2 — CID 79501110

IUPAC2-[2-(methylamino)ethyl]-5-phenyl-1H-pyrimidine-4,6-dione
SMILESCNCCC1=NC(=O)C(c2ccccc2)C(=O)N1
InChIInChI=1S/C13H15N3O2/c1-14-8-7-10-15-12(17)11(13(18)16-10)9-5-3-2-4-6-9/h2-6,11,14H,7-8H2,1H3,(H,15,16,17,18)
InChIKeyUOBXZKVDYPFGBM-UHFFFAOYSA-N
MW245.28 g/mol
LogP0.43
Rot. Bonds4

About 2-[2-(methylamino)ethyl]-5-phenyl-1H-pyrimidine-4,6-dione

2-[2-(methylamino)ethyl]-5-phenyl-1H-pyrimidine-4,6-dione (PubChem CID 79501110) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-[2-(methylamino)ethyl]-5-phenyl-1H-pyrimidine-4,6-dione.

Molecular Properties

Compound Name2-[2-(methylamino)ethyl]-5-phenyl-1H-pyrimidine-4,6-dione
PubChem CID79501110
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name2-[2-(methylamino)ethyl]-5-phenyl-1H-pyrimidine-4,6-dione
SMILESCNCCC1=NC(=O)C(c2ccccc2)C(=O)N1
InChIInChI=1S/C13H15N3O2/c1-14-8-7-10-15-12(17)11(13(18)16-10)9-5-3-2-4-6-9/h2-6,11,14H,7-8H2,1H3,(H,15,16,17,18)
InChIKeyUOBXZKVDYPFGBM-UHFFFAOYSA-N
XLogP0.43
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(methylamino)ethyl]-5-phenyl-1H-pyrimidine-4,6-dione?
The IUPAC name of 2-[2-(methylamino)ethyl]-5-phenyl-1H-pyrimidine-4,6-dione (CID 79501110) is 2-[2-(methylamino)ethyl]-5-phenyl-1H-pyrimidine-4,6-dione.
What is the SMILES notation for 2-[2-(methylamino)ethyl]-5-phenyl-1H-pyrimidine-4,6-dione?
The canonical SMILES for 2-[2-(methylamino)ethyl]-5-phenyl-1H-pyrimidine-4,6-dione is CNCCC1=NC(=O)C(c2ccccc2)C(=O)N1.
What is the InChIKey of 2-[2-(methylamino)ethyl]-5-phenyl-1H-pyrimidine-4,6-dione?
The InChIKey is UOBXZKVDYPFGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-14-8-7-10-15-12(17)11(13(18)16-10)9-5-3-2-4-6-9/h2-6,11,14H,7-8H2,1H3,(H,15,16,17,18).
What are the key properties of 2-[2-(methylamino)ethyl]-5-phenyl-1H-pyrimidine-4,6-dione?
2-[2-(methylamino)ethyl]-5-phenyl-1H-pyrimidine-4,6-dione has a molecular weight of 245.28 g/mol, XLogP of 0.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methylamino)ethyl]-5-phenyl-1H-pyrimidine-4,6-dione is sourced from PubChem (CID 79501110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).