6-[2-(4-ethylphenyl)ethylamino]-1H-pyrimidine-2,4-dione

C14H17N3O2 — CID 146025749

IUPAC6-[2-(4-ethylphenyl)ethylamino]-1H-pyrimidine-2,4-dione
SMILESCCc1ccc(CCNc2cc(=O)[nH]c(=O)[nH]2)cc1
InChIInChI=1S/C14H17N3O2/c1-2-10-3-5-11(6-4-10)7-8-15-12-9-13(18)17-14(19)16-12/h3-6,9H,2,7-8H2,1H3,(H3,15,16,17,18,19)
InChIKeyLWZHMLGYJSGKNG-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.28
Rot. Bonds5

About 6-[2-(4-ethylphenyl)ethylamino]-1H-pyrimidine-2,4-dione

6-[2-(4-ethylphenyl)ethylamino]-1H-pyrimidine-2,4-dione (PubChem CID 146025749) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 6-[2-(4-ethylphenyl)ethylamino]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[2-(4-ethylphenyl)ethylamino]-1H-pyrimidine-2,4-dione
PubChem CID146025749
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name6-[2-(4-ethylphenyl)ethylamino]-1H-pyrimidine-2,4-dione
SMILESCCc1ccc(CCNc2cc(=O)[nH]c(=O)[nH]2)cc1
InChIInChI=1S/C14H17N3O2/c1-2-10-3-5-11(6-4-10)7-8-15-12-9-13(18)17-14(19)16-12/h3-6,9H,2,7-8H2,1H3,(H3,15,16,17,18,19)
InChIKeyLWZHMLGYJSGKNG-UHFFFAOYSA-N
XLogP1.28
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-ethylphenyl)ethylamino]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[2-(4-ethylphenyl)ethylamino]-1H-pyrimidine-2,4-dione (CID 146025749) is 6-[2-(4-ethylphenyl)ethylamino]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[2-(4-ethylphenyl)ethylamino]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[2-(4-ethylphenyl)ethylamino]-1H-pyrimidine-2,4-dione is CCc1ccc(CCNc2cc(=O)[nH]c(=O)[nH]2)cc1.
What is the InChIKey of 6-[2-(4-ethylphenyl)ethylamino]-1H-pyrimidine-2,4-dione?
The InChIKey is LWZHMLGYJSGKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-2-10-3-5-11(6-4-10)7-8-15-12-9-13(18)17-14(19)16-12/h3-6,9H,2,7-8H2,1H3,(H3,15,16,17,18,19).
What are the key properties of 6-[2-(4-ethylphenyl)ethylamino]-1H-pyrimidine-2,4-dione?
6-[2-(4-ethylphenyl)ethylamino]-1H-pyrimidine-2,4-dione has a molecular weight of 259.31 g/mol, XLogP of 1.28, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-ethylphenyl)ethylamino]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 146025749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).