6-(3-ethyl-4-methylanilino)-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-1H-pyrimidine-2,4-dione

C19H27N3O5 — CID 11523710

IUPAC6-(3-ethyl-4-methylanilino)-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-1H-pyrimidine-2,4-dione
SMILESCCc1cc(Nc2cc(=O)n(CCOCCOCCO)c(=O)[nH]2)ccc1C
InChIInChI=1S/C19H27N3O5/c1-3-15-12-16(5-4-14(15)2)20-17-13-18(24)22(19(25)21-17)6-8-26-10-11-27-9-7-23/h4-5,12-13,20,23H,3,6-11H2,1-2H3,(H,21,25)
InChIKeyXPRBJQVCBNNCJM-UHFFFAOYSA-N
MW377.44 g/mol
LogP1.18
Rot. Bonds11

About 6-(3-ethyl-4-methylanilino)-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-1H-pyrimidine-2,4-dione

6-(3-ethyl-4-methylanilino)-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-1H-pyrimidine-2,4-dione (PubChem CID 11523710) has the molecular formula C19H27N3O5 and a molecular weight of 377.44 g/mol. Its IUPAC name is 6-(3-ethyl-4-methylanilino)-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(3-ethyl-4-methylanilino)-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-1H-pyrimidine-2,4-dione
PubChem CID11523710
Molecular FormulaC19H27N3O5
Molecular Weight377.44 g/mol
Exact Mass377.20
IUPAC Name6-(3-ethyl-4-methylanilino)-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-1H-pyrimidine-2,4-dione
SMILESCCc1cc(Nc2cc(=O)n(CCOCCOCCO)c(=O)[nH]2)ccc1C
InChIInChI=1S/C19H27N3O5/c1-3-15-12-16(5-4-14(15)2)20-17-13-18(24)22(19(25)21-17)6-8-26-10-11-27-9-7-23/h4-5,12-13,20,23H,3,6-11H2,1-2H3,(H,21,25)
InChIKeyXPRBJQVCBNNCJM-UHFFFAOYSA-N
XLogP1.18
TPSA105.58 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(3-ethyl-4-methylanilino)-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(3-ethyl-4-methylanilino)-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-1H-pyrimidine-2,4-dione (CID 11523710) is 6-(3-ethyl-4-methylanilino)-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(3-ethyl-4-methylanilino)-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(3-ethyl-4-methylanilino)-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-1H-pyrimidine-2,4-dione is CCc1cc(Nc2cc(=O)n(CCOCCOCCO)c(=O)[nH]2)ccc1C.
What is the InChIKey of 6-(3-ethyl-4-methylanilino)-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-1H-pyrimidine-2,4-dione?
The InChIKey is XPRBJQVCBNNCJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O5/c1-3-15-12-16(5-4-14(15)2)20-17-13-18(24)22(19(25)21-17)6-8-26-10-11-27-9-7-23/h4-5,12-13,20,23H,3,6-11H2,1-2H3,(H,21,25).
What are the key properties of 6-(3-ethyl-4-methylanilino)-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-1H-pyrimidine-2,4-dione?
6-(3-ethyl-4-methylanilino)-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-1H-pyrimidine-2,4-dione has a molecular weight of 377.44 g/mol, XLogP of 1.18, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-ethyl-4-methylanilino)-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 11523710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).