5-(1-phenylethylamino)-1H-pyrimidine-2,4-dione

C12H13N3O2 — CID 3161634

IUPAC5-(1-phenylethylamino)-1H-pyrimidine-2,4-dione
SMILESCC(Nc1c[nH]c(=O)[nH]c1=O)c1ccccc1
InChIInChI=1S/C12H13N3O2/c1-8(9-5-3-2-4-6-9)14-10-7-13-12(17)15-11(10)16/h2-8,14H,1H3,(H2,13,15,16,17)
InChIKeyPVIKSBZFUSEAMF-UHFFFAOYSA-N
MW231.26 g/mol
LogP1.24
Rot. Bonds3

About 5-(1-phenylethylamino)-1H-pyrimidine-2,4-dione

5-(1-phenylethylamino)-1H-pyrimidine-2,4-dione (PubChem CID 3161634) has the molecular formula C12H13N3O2 and a molecular weight of 231.26 g/mol. Its IUPAC name is 5-(1-phenylethylamino)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(1-phenylethylamino)-1H-pyrimidine-2,4-dione
PubChem CID3161634
Molecular FormulaC12H13N3O2
Molecular Weight231.26 g/mol
Exact Mass231.10
IUPAC Name5-(1-phenylethylamino)-1H-pyrimidine-2,4-dione
SMILESCC(Nc1c[nH]c(=O)[nH]c1=O)c1ccccc1
InChIInChI=1S/C12H13N3O2/c1-8(9-5-3-2-4-6-9)14-10-7-13-12(17)15-11(10)16/h2-8,14H,1H3,(H2,13,15,16,17)
InChIKeyPVIKSBZFUSEAMF-UHFFFAOYSA-N
XLogP1.24
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1-phenylethylamino)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-(1-phenylethylamino)-1H-pyrimidine-2,4-dione (CID 3161634) is 5-(1-phenylethylamino)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-(1-phenylethylamino)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-(1-phenylethylamino)-1H-pyrimidine-2,4-dione is CC(Nc1c[nH]c(=O)[nH]c1=O)c1ccccc1.
What is the InChIKey of 5-(1-phenylethylamino)-1H-pyrimidine-2,4-dione?
The InChIKey is PVIKSBZFUSEAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-8(9-5-3-2-4-6-9)14-10-7-13-12(17)15-11(10)16/h2-8,14H,1H3,(H2,13,15,16,17).
What are the key properties of 5-(1-phenylethylamino)-1H-pyrimidine-2,4-dione?
5-(1-phenylethylamino)-1H-pyrimidine-2,4-dione has a molecular weight of 231.26 g/mol, XLogP of 1.24, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-phenylethylamino)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 3161634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).