6-amino-1-ethyl-5-[2-(2-methylphenyl)ethylamino]pyrimidine-2,4-dione

C15H20N4O2 — CID 78911038

IUPAC6-amino-1-ethyl-5-[2-(2-methylphenyl)ethylamino]pyrimidine-2,4-dione
SMILESCCn1c(N)c(NCCc2ccccc2C)c(=O)[nH]c1=O
InChIInChI=1S/C15H20N4O2/c1-3-19-13(16)12(14(20)18-15(19)21)17-9-8-11-7-5-4-6-10(11)2/h4-7,17H,3,8-9,16H2,1-2H3,(H,18,20,21)
InChIKeyOPFMZYFXGJCJEP-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.10
Rot. Bonds5

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

6-amino-1-ethyl-5-[2-(2-methylphenyl)ethylamino]pyrimidine-2,4-dione (PubChem CID 78911038) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 6-amino-1-ethyl-5-[2-(2-methylphenyl)ethylamino]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-ethyl-5-[2-(2-methylphenyl)ethylamino]pyrimidine-2,4-dione
PubChem CID78911038
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name6-amino-1-ethyl-5-[2-(2-methylphenyl)ethylamino]pyrimidine-2,4-dione
SMILESCCn1c(N)c(NCCc2ccccc2C)c(=O)[nH]c1=O
InChIInChI=1S/C15H20N4O2/c1-3-19-13(16)12(14(20)18-15(19)21)17-9-8-11-7-5-4-6-10(11)2/h4-7,17H,3,8-9,16H2,1-2H3,(H,18,20,21)
InChIKeyOPFMZYFXGJCJEP-UHFFFAOYSA-N
XLogP1.10
TPSA92.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-ethyl-5-[2-(2-methylphenyl)ethylamino]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-ethyl-5-[2-(2-methylphenyl)ethylamino]pyrimidine-2,4-dione (CID 78911038) is 6-amino-1-ethyl-5-[2-(2-methylphenyl)ethylamino]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-ethyl-5-[2-(2-methylphenyl)ethylamino]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-ethyl-5-[2-(2-methylphenyl)ethylamino]pyrimidine-2,4-dione is CCn1c(N)c(NCCc2ccccc2C)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-ethyl-5-[2-(2-methylphenyl)ethylamino]pyrimidine-2,4-dione?
The InChIKey is OPFMZYFXGJCJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-3-19-13(16)12(14(20)18-15(19)21)17-9-8-11-7-5-4-6-10(11)2/h4-7,17H,3,8-9,16H2,1-2H3,(H,18,20,21).
What are the key properties of 6-amino-1-ethyl-5-[2-(2-methylphenyl)ethylamino]pyrimidine-2,4-dione?
6-amino-1-ethyl-5-[2-(2-methylphenyl)ethylamino]pyrimidine-2,4-dione has a molecular weight of 288.35 g/mol, XLogP of 1.10, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-ethyl-5-[2-(2-methylphenyl)ethylamino]pyrimidine-2,4-dione is sourced from PubChem (CID 78911038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).