6-(3-ethyl-4-methylanilino)-3-(3-morpholin-4-ylpropyl)-1H-pyrimidine-2,4-dione

C20H28N4O3 — CID 10150380

IUPAC6-(3-ethyl-4-methylanilino)-3-(3-morpholin-4-ylpropyl)-1H-pyrimidine-2,4-dione
SMILESCCc1cc(Nc2cc(=O)n(CCCN3CCOCC3)c(=O)[nH]2)ccc1C
InChIInChI=1S/C20H28N4O3/c1-3-16-13-17(6-5-15(16)2)21-18-14-19(25)24(20(26)22-18)8-4-7-23-9-11-27-12-10-23/h5-6,13-14,21H,3-4,7-12H2,1-2H3,(H,22,26)
InChIKeyQLRYQFHNVLUQHZ-UHFFFAOYSA-N
MW372.47 g/mol
LogP1.87
Rot. Bonds7

About 6-(3-ethyl-4-methylanilino)-3-(3-morpholin-4-ylpropyl)-1H-pyrimidine-2,4-dione

6-(3-ethyl-4-methylanilino)-3-(3-morpholin-4-ylpropyl)-1H-pyrimidine-2,4-dione (PubChem CID 10150380) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is 6-(3-ethyl-4-methylanilino)-3-(3-morpholin-4-ylpropyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(3-ethyl-4-methylanilino)-3-(3-morpholin-4-ylpropyl)-1H-pyrimidine-2,4-dione
PubChem CID10150380
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC Name6-(3-ethyl-4-methylanilino)-3-(3-morpholin-4-ylpropyl)-1H-pyrimidine-2,4-dione
SMILESCCc1cc(Nc2cc(=O)n(CCCN3CCOCC3)c(=O)[nH]2)ccc1C
InChIInChI=1S/C20H28N4O3/c1-3-16-13-17(6-5-15(16)2)21-18-14-19(25)24(20(26)22-18)8-4-7-23-9-11-27-12-10-23/h5-6,13-14,21H,3-4,7-12H2,1-2H3,(H,22,26)
InChIKeyQLRYQFHNVLUQHZ-UHFFFAOYSA-N
XLogP1.87
TPSA79.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(3-ethyl-4-methylanilino)-3-(3-morpholin-4-ylpropyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(3-ethyl-4-methylanilino)-3-(3-morpholin-4-ylpropyl)-1H-pyrimidine-2,4-dione (CID 10150380) is 6-(3-ethyl-4-methylanilino)-3-(3-morpholin-4-ylpropyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(3-ethyl-4-methylanilino)-3-(3-morpholin-4-ylpropyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(3-ethyl-4-methylanilino)-3-(3-morpholin-4-ylpropyl)-1H-pyrimidine-2,4-dione is CCc1cc(Nc2cc(=O)n(CCCN3CCOCC3)c(=O)[nH]2)ccc1C.
What is the InChIKey of 6-(3-ethyl-4-methylanilino)-3-(3-morpholin-4-ylpropyl)-1H-pyrimidine-2,4-dione?
The InChIKey is QLRYQFHNVLUQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-3-16-13-17(6-5-15(16)2)21-18-14-19(25)24(20(26)22-18)8-4-7-23-9-11-27-12-10-23/h5-6,13-14,21H,3-4,7-12H2,1-2H3,(H,22,26).
What are the key properties of 6-(3-ethyl-4-methylanilino)-3-(3-morpholin-4-ylpropyl)-1H-pyrimidine-2,4-dione?
6-(3-ethyl-4-methylanilino)-3-(3-morpholin-4-ylpropyl)-1H-pyrimidine-2,4-dione has a molecular weight of 372.47 g/mol, XLogP of 1.87, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-ethyl-4-methylanilino)-3-(3-morpholin-4-ylpropyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 10150380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).