2-butyl-4-methyl-5-(2-morpholin-4-yl-2-oxoethyl)-1H-pyrimidin-6-one

C15H23N3O3 — CID 170353550

IUPAC2-butyl-4-methyl-5-(2-morpholin-4-yl-2-oxoethyl)-1H-pyrimidin-6-one
SMILESCCCCc1nc(C)c(CC(=O)N2CCOCC2)c(=O)[nH]1
InChIInChI=1S/C15H23N3O3/c1-3-4-5-13-16-11(2)12(15(20)17-13)10-14(19)18-6-8-21-9-7-18/h3-10H2,1-2H3,(H,16,17,20)
InChIKeyULCRGLXWBUSPMX-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.82
Rot. Bonds5

About 2-butyl-4-methyl-5-(2-morpholin-4-yl-2-oxoethyl)-1H-pyrimidin-6-one

2-butyl-4-methyl-5-(2-morpholin-4-yl-2-oxoethyl)-1H-pyrimidin-6-one (PubChem CID 170353550) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-butyl-4-methyl-5-(2-morpholin-4-yl-2-oxoethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-butyl-4-methyl-5-(2-morpholin-4-yl-2-oxoethyl)-1H-pyrimidin-6-one
PubChem CID170353550
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name2-butyl-4-methyl-5-(2-morpholin-4-yl-2-oxoethyl)-1H-pyrimidin-6-one
SMILESCCCCc1nc(C)c(CC(=O)N2CCOCC2)c(=O)[nH]1
InChIInChI=1S/C15H23N3O3/c1-3-4-5-13-16-11(2)12(15(20)17-13)10-14(19)18-6-8-21-9-7-18/h3-10H2,1-2H3,(H,16,17,20)
InChIKeyULCRGLXWBUSPMX-UHFFFAOYSA-N
XLogP0.82
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-4-methyl-5-(2-morpholin-4-yl-2-oxoethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-butyl-4-methyl-5-(2-morpholin-4-yl-2-oxoethyl)-1H-pyrimidin-6-one (CID 170353550) is 2-butyl-4-methyl-5-(2-morpholin-4-yl-2-oxoethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-butyl-4-methyl-5-(2-morpholin-4-yl-2-oxoethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-butyl-4-methyl-5-(2-morpholin-4-yl-2-oxoethyl)-1H-pyrimidin-6-one is CCCCc1nc(C)c(CC(=O)N2CCOCC2)c(=O)[nH]1.
What is the InChIKey of 2-butyl-4-methyl-5-(2-morpholin-4-yl-2-oxoethyl)-1H-pyrimidin-6-one?
The InChIKey is ULCRGLXWBUSPMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-3-4-5-13-16-11(2)12(15(20)17-13)10-14(19)18-6-8-21-9-7-18/h3-10H2,1-2H3,(H,16,17,20).
What are the key properties of 2-butyl-4-methyl-5-(2-morpholin-4-yl-2-oxoethyl)-1H-pyrimidin-6-one?
2-butyl-4-methyl-5-(2-morpholin-4-yl-2-oxoethyl)-1H-pyrimidin-6-one has a molecular weight of 293.37 g/mol, XLogP of 0.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4-methyl-5-(2-morpholin-4-yl-2-oxoethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 170353550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).