6-amino-1-(2-phenylethyl)pyrimidine-2,4-dione

C12H13N3O2 — CID 1409300

IUPAC6-amino-1-(2-phenylethyl)pyrimidine-2,4-dione
SMILESNc1cc(=O)[nH]c(=O)n1CCc1ccccc1
InChIInChI=1S/C12H13N3O2/c13-10-8-11(16)14-12(17)15(10)7-6-9-4-2-1-3-5-9/h1-5,8H,6-7,13H2,(H,14,16,17)
InChIKeyMYCQVAUSXCWYKG-UHFFFAOYSA-N
MW231.26 g/mol
LogP0.36
Rot. Bonds3

About 6-amino-1-(2-phenylethyl)pyrimidine-2,4-dione

6-amino-1-(2-phenylethyl)pyrimidine-2,4-dione (PubChem CID 1409300) has the molecular formula C12H13N3O2 and a molecular weight of 231.26 g/mol. Its IUPAC name is 6-amino-1-(2-phenylethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-(2-phenylethyl)pyrimidine-2,4-dione
PubChem CID1409300
Molecular FormulaC12H13N3O2
Molecular Weight231.26 g/mol
Exact Mass231.10
IUPAC Name6-amino-1-(2-phenylethyl)pyrimidine-2,4-dione
SMILESNc1cc(=O)[nH]c(=O)n1CCc1ccccc1
InChIInChI=1S/C12H13N3O2/c13-10-8-11(16)14-12(17)15(10)7-6-9-4-2-1-3-5-9/h1-5,8H,6-7,13H2,(H,14,16,17)
InChIKeyMYCQVAUSXCWYKG-UHFFFAOYSA-N
XLogP0.36
TPSA80.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-(2-phenylethyl)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-(2-phenylethyl)pyrimidine-2,4-dione (CID 1409300) is 6-amino-1-(2-phenylethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-(2-phenylethyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-(2-phenylethyl)pyrimidine-2,4-dione is Nc1cc(=O)[nH]c(=O)n1CCc1ccccc1.
What is the InChIKey of 6-amino-1-(2-phenylethyl)pyrimidine-2,4-dione?
The InChIKey is MYCQVAUSXCWYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c13-10-8-11(16)14-12(17)15(10)7-6-9-4-2-1-3-5-9/h1-5,8H,6-7,13H2,(H,14,16,17).
What are the key properties of 6-amino-1-(2-phenylethyl)pyrimidine-2,4-dione?
6-amino-1-(2-phenylethyl)pyrimidine-2,4-dione has a molecular weight of 231.26 g/mol, XLogP of 0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-(2-phenylethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 1409300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).