1,3-dimethyl-6-(1-phenylethylamino)pyrimidine-2,4-dione

C14H17N3O2 — CID 2865923

IUPAC1,3-dimethyl-6-(1-phenylethylamino)pyrimidine-2,4-dione
SMILESCC(Nc1cc(=O)n(C)c(=O)n1C)c1ccccc1
InChIInChI=1S/C14H17N3O2/c1-10(11-7-5-4-6-8-11)15-12-9-13(18)17(3)14(19)16(12)2/h4-10,15H,1-3H3
InChIKeyOUBJGKZYHXUUOH-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.26
Rot. Bonds3

About 1,3-dimethyl-6-(1-phenylethylamino)pyrimidine-2,4-dione

1,3-dimethyl-6-(1-phenylethylamino)pyrimidine-2,4-dione (PubChem CID 2865923) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 1,3-dimethyl-6-(1-phenylethylamino)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-6-(1-phenylethylamino)pyrimidine-2,4-dione
PubChem CID2865923
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name1,3-dimethyl-6-(1-phenylethylamino)pyrimidine-2,4-dione
SMILESCC(Nc1cc(=O)n(C)c(=O)n1C)c1ccccc1
InChIInChI=1S/C14H17N3O2/c1-10(11-7-5-4-6-8-11)15-12-9-13(18)17(3)14(19)16(12)2/h4-10,15H,1-3H3
InChIKeyOUBJGKZYHXUUOH-UHFFFAOYSA-N
XLogP1.26
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-(1-phenylethylamino)pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-6-(1-phenylethylamino)pyrimidine-2,4-dione (CID 2865923) is 1,3-dimethyl-6-(1-phenylethylamino)pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-6-(1-phenylethylamino)pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-6-(1-phenylethylamino)pyrimidine-2,4-dione is CC(Nc1cc(=O)n(C)c(=O)n1C)c1ccccc1.
What is the InChIKey of 1,3-dimethyl-6-(1-phenylethylamino)pyrimidine-2,4-dione?
The InChIKey is OUBJGKZYHXUUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-10(11-7-5-4-6-8-11)15-12-9-13(18)17(3)14(19)16(12)2/h4-10,15H,1-3H3.
What are the key properties of 1,3-dimethyl-6-(1-phenylethylamino)pyrimidine-2,4-dione?
1,3-dimethyl-6-(1-phenylethylamino)pyrimidine-2,4-dione has a molecular weight of 259.31 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-(1-phenylethylamino)pyrimidine-2,4-dione is sourced from PubChem (CID 2865923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).