6-(3-ethyl-4-methylanilino)-3-(4-piperidin-1-ylbutyl)-1H-pyrimidine-2,4-dione

C22H32N4O2 — CID 10894304

IUPAC6-(3-ethyl-4-methylanilino)-3-(4-piperidin-1-ylbutyl)-1H-pyrimidine-2,4-dione
SMILESCCc1cc(Nc2cc(=O)n(CCCCN3CCCCC3)c(=O)[nH]2)ccc1C
InChIInChI=1S/C22H32N4O2/c1-3-18-15-19(10-9-17(18)2)23-20-16-21(27)26(22(28)24-20)14-8-7-13-25-11-5-4-6-12-25/h9-10,15-16,23H,3-8,11-14H2,1-2H3,(H,24,28)
InChIKeyVLSDLKNDTNUHRS-UHFFFAOYSA-N
MW384.52 g/mol
LogP3.42
Rot. Bonds8

About 6-(3-ethyl-4-methylanilino)-3-(4-piperidin-1-ylbutyl)-1H-pyrimidine-2,4-dione

6-(3-ethyl-4-methylanilino)-3-(4-piperidin-1-ylbutyl)-1H-pyrimidine-2,4-dione (PubChem CID 10894304) has the molecular formula C22H32N4O2 and a molecular weight of 384.52 g/mol. Its IUPAC name is 6-(3-ethyl-4-methylanilino)-3-(4-piperidin-1-ylbutyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(3-ethyl-4-methylanilino)-3-(4-piperidin-1-ylbutyl)-1H-pyrimidine-2,4-dione
PubChem CID10894304
Molecular FormulaC22H32N4O2
Molecular Weight384.52 g/mol
Exact Mass384.25
IUPAC Name6-(3-ethyl-4-methylanilino)-3-(4-piperidin-1-ylbutyl)-1H-pyrimidine-2,4-dione
SMILESCCc1cc(Nc2cc(=O)n(CCCCN3CCCCC3)c(=O)[nH]2)ccc1C
InChIInChI=1S/C22H32N4O2/c1-3-18-15-19(10-9-17(18)2)23-20-16-21(27)26(22(28)24-20)14-8-7-13-25-11-5-4-6-12-25/h9-10,15-16,23H,3-8,11-14H2,1-2H3,(H,24,28)
InChIKeyVLSDLKNDTNUHRS-UHFFFAOYSA-N
XLogP3.42
TPSA70.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 53.42
H-Bond Donors ≤ 52
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-(4-piperidin-1-ylbutyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(3-ethyl-4-methylanilino)-3-(4-piperidin-1-ylbutyl)-1H-pyrimidine-2,4-dione (CID 10894304) is 6-(3-ethyl-4-methylanilino)-3-(4-piperidin-1-ylbutyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(3-ethyl-4-methylanilino)-3-(4-piperidin-1-ylbutyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(3-ethyl-4-methylanilino)-3-(4-piperidin-1-ylbutyl)-1H-pyrimidine-2,4-dione is CCc1cc(Nc2cc(=O)n(CCCCN3CCCCC3)c(=O)[nH]2)ccc1C.
What is the InChIKey of 6-(3-ethyl-4-methylanilino)-3-(4-piperidin-1-ylbutyl)-1H-pyrimidine-2,4-dione?
The InChIKey is VLSDLKNDTNUHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O2/c1-3-18-15-19(10-9-17(18)2)23-20-16-21(27)26(22(28)24-20)14-8-7-13-25-11-5-4-6-12-25/h9-10,15-16,23H,3-8,11-14H2,1-2H3,(H,24,28).
What are the key properties of 6-(3-ethyl-4-methylanilino)-3-(4-piperidin-1-ylbutyl)-1H-pyrimidine-2,4-dione?
6-(3-ethyl-4-methylanilino)-3-(4-piperidin-1-ylbutyl)-1H-pyrimidine-2,4-dione has a molecular weight of 384.52 g/mol, XLogP of 3.42, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-ethyl-4-methylanilino)-3-(4-piperidin-1-ylbutyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 10894304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).