4-[6-(3-ethyl-4-methylanilino)-2,4-dioxo-1H-pyrimidin-3-yl]butyl morpholine-4-carboxylate

C22H30N4O5 — CID 11568170

IUPAC4-[6-(3-ethyl-4-methylanilino)-2,4-dioxo-1H-pyrimidin-3-yl]butyl morpholine-4-carboxylate
SMILESCCc1cc(Nc2cc(=O)n(CCCCOC(=O)N3CCOCC3)c(=O)[nH]2)ccc1C
InChIInChI=1S/C22H30N4O5/c1-3-17-14-18(7-6-16(17)2)23-19-15-20(27)26(21(28)24-19)8-4-5-11-31-22(29)25-9-12-30-13-10-25/h6-7,14-15,23H,3-5,8-13H2,1-2H3,(H,24,28)
InChIKeyBSGIECXBWCAUPE-UHFFFAOYSA-N
MW430.51 g/mol
LogP2.40
Rot. Bonds8

About 4-[6-(3-ethyl-4-methylanilino)-2,4-dioxo-1H-pyrimidin-3-yl]butyl morpholine-4-carboxylate

4-[6-(3-ethyl-4-methylanilino)-2,4-dioxo-1H-pyrimidin-3-yl]butyl morpholine-4-carboxylate (PubChem CID 11568170) has the molecular formula C22H30N4O5 and a molecular weight of 430.51 g/mol. Its IUPAC name is 4-[6-(3-ethyl-4-methylanilino)-2,4-dioxo-1H-pyrimidin-3-yl]butyl morpholine-4-carboxylate.

Molecular Properties

Compound Name4-[6-(3-ethyl-4-methylanilino)-2,4-dioxo-1H-pyrimidin-3-yl]butyl morpholine-4-carboxylate
PubChem CID11568170
Molecular FormulaC22H30N4O5
Molecular Weight430.51 g/mol
Exact Mass430.22
IUPAC Name4-[6-(3-ethyl-4-methylanilino)-2,4-dioxo-1H-pyrimidin-3-yl]butyl morpholine-4-carboxylate
SMILESCCc1cc(Nc2cc(=O)n(CCCCOC(=O)N3CCOCC3)c(=O)[nH]2)ccc1C
InChIInChI=1S/C22H30N4O5/c1-3-17-14-18(7-6-16(17)2)23-19-15-20(27)26(21(28)24-19)8-4-5-11-31-22(29)25-9-12-30-13-10-25/h6-7,14-15,23H,3-5,8-13H2,1-2H3,(H,24,28)
InChIKeyBSGIECXBWCAUPE-UHFFFAOYSA-N
XLogP2.40
TPSA105.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 52.40
H-Bond Donors ≤ 52
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 4-[6-(3-ethyl-4-methylanilino)-2,4-dioxo-1H-pyrimidin-3-yl]butyl morpholine-4-carboxylate?
The IUPAC name of 4-[6-(3-ethyl-4-methylanilino)-2,4-dioxo-1H-pyrimidin-3-yl]butyl morpholine-4-carboxylate (CID 11568170) is 4-[6-(3-ethyl-4-methylanilino)-2,4-dioxo-1H-pyrimidin-3-yl]butyl morpholine-4-carboxylate.
What is the SMILES notation for 4-[6-(3-ethyl-4-methylanilino)-2,4-dioxo-1H-pyrimidin-3-yl]butyl morpholine-4-carboxylate?
The canonical SMILES for 4-[6-(3-ethyl-4-methylanilino)-2,4-dioxo-1H-pyrimidin-3-yl]butyl morpholine-4-carboxylate is CCc1cc(Nc2cc(=O)n(CCCCOC(=O)N3CCOCC3)c(=O)[nH]2)ccc1C.
What is the InChIKey of 4-[6-(3-ethyl-4-methylanilino)-2,4-dioxo-1H-pyrimidin-3-yl]butyl morpholine-4-carboxylate?
The InChIKey is BSGIECXBWCAUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O5/c1-3-17-14-18(7-6-16(17)2)23-19-15-20(27)26(21(28)24-19)8-4-5-11-31-22(29)25-9-12-30-13-10-25/h6-7,14-15,23H,3-5,8-13H2,1-2H3,(H,24,28).
What are the key properties of 4-[6-(3-ethyl-4-methylanilino)-2,4-dioxo-1H-pyrimidin-3-yl]butyl morpholine-4-carboxylate?
4-[6-(3-ethyl-4-methylanilino)-2,4-dioxo-1H-pyrimidin-3-yl]butyl morpholine-4-carboxylate has a molecular weight of 430.51 g/mol, XLogP of 2.40, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(3-ethyl-4-methylanilino)-2,4-dioxo-1H-pyrimidin-3-yl]butyl morpholine-4-carboxylate is sourced from PubChem (CID 11568170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).