5-ethyl-1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidine-2,4-dione

C14H23N3O3 — CID 66328172

IUPAC5-ethyl-1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidine-2,4-dione
SMILESCCc1cn(CC2CN(C(C)C)CCO2)c(=O)[nH]c1=O
InChIInChI=1S/C14H23N3O3/c1-4-11-7-17(14(19)15-13(11)18)9-12-8-16(10(2)3)5-6-20-12/h7,10,12H,4-6,8-9H2,1-3H3,(H,15,18,19)
InChIKeyVBVMLYCHWSSCEW-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.21
Rot. Bonds4

About 5-ethyl-1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidine-2,4-dione

5-ethyl-1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidine-2,4-dione (PubChem CID 66328172) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 5-ethyl-1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-ethyl-1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidine-2,4-dione
PubChem CID66328172
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name5-ethyl-1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidine-2,4-dione
SMILESCCc1cn(CC2CN(C(C)C)CCO2)c(=O)[nH]c1=O
InChIInChI=1S/C14H23N3O3/c1-4-11-7-17(14(19)15-13(11)18)9-12-8-16(10(2)3)5-6-20-12/h7,10,12H,4-6,8-9H2,1-3H3,(H,15,18,19)
InChIKeyVBVMLYCHWSSCEW-UHFFFAOYSA-N
XLogP0.21
TPSA67.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidine-2,4-dione?
The IUPAC name of 5-ethyl-1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidine-2,4-dione (CID 66328172) is 5-ethyl-1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-ethyl-1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-ethyl-1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidine-2,4-dione is CCc1cn(CC2CN(C(C)C)CCO2)c(=O)[nH]c1=O.
What is the InChIKey of 5-ethyl-1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidine-2,4-dione?
The InChIKey is VBVMLYCHWSSCEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-4-11-7-17(14(19)15-13(11)18)9-12-8-16(10(2)3)5-6-20-12/h7,10,12H,4-6,8-9H2,1-3H3,(H,15,18,19).
What are the key properties of 5-ethyl-1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidine-2,4-dione?
5-ethyl-1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidine-2,4-dione has a molecular weight of 281.36 g/mol, XLogP of 0.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 66328172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).