6-morpholin-4-yl-3-propan-2-yl-1H-pyrimidine-2,4-dione

C11H17N3O3 — CID 134987665

IUPAC6-morpholin-4-yl-3-propan-2-yl-1H-pyrimidine-2,4-dione
SMILESCC(C)n1c(=O)cc(N2CCOCC2)[nH]c1=O
InChIInChI=1S/C11H17N3O3/c1-8(2)14-10(15)7-9(12-11(14)16)13-3-5-17-6-4-13/h7-8H,3-6H2,1-2H3,(H,12,16)
InChIKeyZHZYLAYYYDRHJS-UHFFFAOYSA-N
MW239.27 g/mol
LogP-0.05
Rot. Bonds2

About 6-morpholin-4-yl-3-propan-2-yl-1H-pyrimidine-2,4-dione

6-morpholin-4-yl-3-propan-2-yl-1H-pyrimidine-2,4-dione (PubChem CID 134987665) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 6-morpholin-4-yl-3-propan-2-yl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-morpholin-4-yl-3-propan-2-yl-1H-pyrimidine-2,4-dione
PubChem CID134987665
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name6-morpholin-4-yl-3-propan-2-yl-1H-pyrimidine-2,4-dione
SMILESCC(C)n1c(=O)cc(N2CCOCC2)[nH]c1=O
InChIInChI=1S/C11H17N3O3/c1-8(2)14-10(15)7-9(12-11(14)16)13-3-5-17-6-4-13/h7-8H,3-6H2,1-2H3,(H,12,16)
InChIKeyZHZYLAYYYDRHJS-UHFFFAOYSA-N
XLogP-0.05
TPSA67.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-morpholin-4-yl-3-propan-2-yl-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-morpholin-4-yl-3-propan-2-yl-1H-pyrimidine-2,4-dione (CID 134987665) is 6-morpholin-4-yl-3-propan-2-yl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-morpholin-4-yl-3-propan-2-yl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-morpholin-4-yl-3-propan-2-yl-1H-pyrimidine-2,4-dione is CC(C)n1c(=O)cc(N2CCOCC2)[nH]c1=O.
What is the InChIKey of 6-morpholin-4-yl-3-propan-2-yl-1H-pyrimidine-2,4-dione?
The InChIKey is ZHZYLAYYYDRHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-8(2)14-10(15)7-9(12-11(14)16)13-3-5-17-6-4-13/h7-8H,3-6H2,1-2H3,(H,12,16).
What are the key properties of 6-morpholin-4-yl-3-propan-2-yl-1H-pyrimidine-2,4-dione?
6-morpholin-4-yl-3-propan-2-yl-1H-pyrimidine-2,4-dione has a molecular weight of 239.27 g/mol, XLogP of -0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-morpholin-4-yl-3-propan-2-yl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 134987665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).