6-amino-1-ethyl-5-[(2-hydroxy-2-phenylethyl)amino]pyrimidine-2,4-dione

C14H18N4O3 — CID 60649098

IUPAC6-amino-1-ethyl-5-[(2-hydroxy-2-phenylethyl)amino]pyrimidine-2,4-dione
SMILESCCn1c(N)c(NCC(O)c2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C14H18N4O3/c1-2-18-12(15)11(13(20)17-14(18)21)16-8-10(19)9-6-4-3-5-7-9/h3-7,10,16,19H,2,8,15H2,1H3,(H,17,20,21)
InChIKeyQYCNPQOZKXHSLD-UHFFFAOYSA-N
MW290.32 g/mol
LogP0.28
Rot. Bonds5

About 6-amino-1-ethyl-5-[(2-hydroxy-2-phenylethyl)amino]pyrimidine-2,4-dione

6-amino-1-ethyl-5-[(2-hydroxy-2-phenylethyl)amino]pyrimidine-2,4-dione (PubChem CID 60649098) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is 6-amino-1-ethyl-5-[(2-hydroxy-2-phenylethyl)amino]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-ethyl-5-[(2-hydroxy-2-phenylethyl)amino]pyrimidine-2,4-dione
PubChem CID60649098
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Name6-amino-1-ethyl-5-[(2-hydroxy-2-phenylethyl)amino]pyrimidine-2,4-dione
SMILESCCn1c(N)c(NCC(O)c2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C14H18N4O3/c1-2-18-12(15)11(13(20)17-14(18)21)16-8-10(19)9-6-4-3-5-7-9/h3-7,10,16,19H,2,8,15H2,1H3,(H,17,20,21)
InChIKeyQYCNPQOZKXHSLD-UHFFFAOYSA-N
XLogP0.28
TPSA113.14 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 6-amino-1-ethyl-5-[(2-hydroxy-2-phenylethyl)amino]pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-ethyl-5-[(2-hydroxy-2-phenylethyl)amino]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-ethyl-5-[(2-hydroxy-2-phenylethyl)amino]pyrimidine-2,4-dione (CID 60649098) is 6-amino-1-ethyl-5-[(2-hydroxy-2-phenylethyl)amino]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-ethyl-5-[(2-hydroxy-2-phenylethyl)amino]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-ethyl-5-[(2-hydroxy-2-phenylethyl)amino]pyrimidine-2,4-dione is CCn1c(N)c(NCC(O)c2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-ethyl-5-[(2-hydroxy-2-phenylethyl)amino]pyrimidine-2,4-dione?
The InChIKey is QYCNPQOZKXHSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-2-18-12(15)11(13(20)17-14(18)21)16-8-10(19)9-6-4-3-5-7-9/h3-7,10,16,19H,2,8,15H2,1H3,(H,17,20,21).
What are the key properties of 6-amino-1-ethyl-5-[(2-hydroxy-2-phenylethyl)amino]pyrimidine-2,4-dione?
6-amino-1-ethyl-5-[(2-hydroxy-2-phenylethyl)amino]pyrimidine-2,4-dione has a molecular weight of 290.32 g/mol, XLogP of 0.28, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-ethyl-5-[(2-hydroxy-2-phenylethyl)amino]pyrimidine-2,4-dione is sourced from PubChem (CID 60649098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).