6-(3-ethyl-4-methylanilino)-3-(10-hydroxydecyl)-1H-pyrimidine-2,4-dione

C23H35N3O3 — CID 11632749

IUPAC6-(3-ethyl-4-methylanilino)-3-(10-hydroxydecyl)-1H-pyrimidine-2,4-dione
SMILESCCc1cc(Nc2cc(=O)n(CCCCCCCCCCO)c(=O)[nH]2)ccc1C
InChIInChI=1S/C23H35N3O3/c1-3-19-16-20(13-12-18(19)2)24-21-17-22(28)26(23(29)25-21)14-10-8-6-4-5-7-9-11-15-27/h12-13,16-17,24,27H,3-11,14-15H2,1-2H3,(H,25,29)
InChIKeyRRIGEJMJNAQMHD-UHFFFAOYSA-N
MW401.55 g/mol
LogP4.26
Rot. Bonds13

About 6-(3-ethyl-4-methylanilino)-3-(10-hydroxydecyl)-1H-pyrimidine-2,4-dione

6-(3-ethyl-4-methylanilino)-3-(10-hydroxydecyl)-1H-pyrimidine-2,4-dione (PubChem CID 11632749) has the molecular formula C23H35N3O3 and a molecular weight of 401.55 g/mol. Its IUPAC name is 6-(3-ethyl-4-methylanilino)-3-(10-hydroxydecyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(3-ethyl-4-methylanilino)-3-(10-hydroxydecyl)-1H-pyrimidine-2,4-dione
PubChem CID11632749
Molecular FormulaC23H35N3O3
Molecular Weight401.55 g/mol
Exact Mass401.27
IUPAC Name6-(3-ethyl-4-methylanilino)-3-(10-hydroxydecyl)-1H-pyrimidine-2,4-dione
SMILESCCc1cc(Nc2cc(=O)n(CCCCCCCCCCO)c(=O)[nH]2)ccc1C
InChIInChI=1S/C23H35N3O3/c1-3-19-16-20(13-12-18(19)2)24-21-17-22(28)26(23(29)25-21)14-10-8-6-4-5-7-9-11-15-27/h12-13,16-17,24,27H,3-11,14-15H2,1-2H3,(H,25,29)
InChIKeyRRIGEJMJNAQMHD-UHFFFAOYSA-N
XLogP4.26
TPSA87.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.55
LogP ≤ 54.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-(10-hydroxydecyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(3-ethyl-4-methylanilino)-3-(10-hydroxydecyl)-1H-pyrimidine-2,4-dione (CID 11632749) is 6-(3-ethyl-4-methylanilino)-3-(10-hydroxydecyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(3-ethyl-4-methylanilino)-3-(10-hydroxydecyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(3-ethyl-4-methylanilino)-3-(10-hydroxydecyl)-1H-pyrimidine-2,4-dione is CCc1cc(Nc2cc(=O)n(CCCCCCCCCCO)c(=O)[nH]2)ccc1C.
What is the InChIKey of 6-(3-ethyl-4-methylanilino)-3-(10-hydroxydecyl)-1H-pyrimidine-2,4-dione?
The InChIKey is RRIGEJMJNAQMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O3/c1-3-19-16-20(13-12-18(19)2)24-21-17-22(28)26(23(29)25-21)14-10-8-6-4-5-7-9-11-15-27/h12-13,16-17,24,27H,3-11,14-15H2,1-2H3,(H,25,29).
What are the key properties of 6-(3-ethyl-4-methylanilino)-3-(10-hydroxydecyl)-1H-pyrimidine-2,4-dione?
6-(3-ethyl-4-methylanilino)-3-(10-hydroxydecyl)-1H-pyrimidine-2,4-dione has a molecular weight of 401.55 g/mol, XLogP of 4.26, 13 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-ethyl-4-methylanilino)-3-(10-hydroxydecyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 11632749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).