6-(ethylamino)-1,3-diphenylpyrimidine-2,4-dione

C18H17N3O2 — CID 2786043

IUPAC6-(ethylamino)-1,3-diphenylpyrimidine-2,4-dione
SMILESCCNc1cc(=O)n(-c2ccccc2)c(=O)n1-c1ccccc1
InChIInChI=1S/C18H17N3O2/c1-2-19-16-13-17(22)21(15-11-7-4-8-12-15)18(23)20(16)14-9-5-3-6-10-14/h3-13,19H,2H2,1H3
InChIKeyABYHCBUJQCIGCA-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.42
Rot. Bonds4

About 6-(ethylamino)-1,3-diphenylpyrimidine-2,4-dione

6-(ethylamino)-1,3-diphenylpyrimidine-2,4-dione (PubChem CID 2786043) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 6-(ethylamino)-1,3-diphenylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(ethylamino)-1,3-diphenylpyrimidine-2,4-dione
PubChem CID2786043
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name6-(ethylamino)-1,3-diphenylpyrimidine-2,4-dione
SMILESCCNc1cc(=O)n(-c2ccccc2)c(=O)n1-c1ccccc1
InChIInChI=1S/C18H17N3O2/c1-2-19-16-13-17(22)21(15-11-7-4-8-12-15)18(23)20(16)14-9-5-3-6-10-14/h3-13,19H,2H2,1H3
InChIKeyABYHCBUJQCIGCA-UHFFFAOYSA-N
XLogP2.42
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(ethylamino)-1,3-diphenylpyrimidine-2,4-dione?
The IUPAC name of 6-(ethylamino)-1,3-diphenylpyrimidine-2,4-dione (CID 2786043) is 6-(ethylamino)-1,3-diphenylpyrimidine-2,4-dione.
What is the SMILES notation for 6-(ethylamino)-1,3-diphenylpyrimidine-2,4-dione?
The canonical SMILES for 6-(ethylamino)-1,3-diphenylpyrimidine-2,4-dione is CCNc1cc(=O)n(-c2ccccc2)c(=O)n1-c1ccccc1.
What is the InChIKey of 6-(ethylamino)-1,3-diphenylpyrimidine-2,4-dione?
The InChIKey is ABYHCBUJQCIGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-2-19-16-13-17(22)21(15-11-7-4-8-12-15)18(23)20(16)14-9-5-3-6-10-14/h3-13,19H,2H2,1H3.
What are the key properties of 6-(ethylamino)-1,3-diphenylpyrimidine-2,4-dione?
6-(ethylamino)-1,3-diphenylpyrimidine-2,4-dione has a molecular weight of 307.35 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(ethylamino)-1,3-diphenylpyrimidine-2,4-dione is sourced from PubChem (CID 2786043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).