2-[1-(2-tert-butylmorpholin-4-yl)ethyl]-4-methyl-1H-pyrimidin-6-one

C15H25N3O2 — CID 136538282

IUPAC2-[1-(2-tert-butylmorpholin-4-yl)ethyl]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(C(C)N2CCOC(C(C)(C)C)C2)n1
InChIInChI=1S/C15H25N3O2/c1-10-8-13(19)17-14(16-10)11(2)18-6-7-20-12(9-18)15(3,4)5/h8,11-12H,6-7,9H2,1-5H3,(H,16,17,19)
InChIKeyPUZBFKMAHPZDRG-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.89
Rot. Bonds2

About 2-[1-(2-tert-butylmorpholin-4-yl)ethyl]-4-methyl-1H-pyrimidin-6-one

2-[1-(2-tert-butylmorpholin-4-yl)ethyl]-4-methyl-1H-pyrimidin-6-one (PubChem CID 136538282) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-[1-(2-tert-butylmorpholin-4-yl)ethyl]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[1-(2-tert-butylmorpholin-4-yl)ethyl]-4-methyl-1H-pyrimidin-6-one
PubChem CID136538282
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name2-[1-(2-tert-butylmorpholin-4-yl)ethyl]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(C(C)N2CCOC(C(C)(C)C)C2)n1
InChIInChI=1S/C15H25N3O2/c1-10-8-13(19)17-14(16-10)11(2)18-6-7-20-12(9-18)15(3,4)5/h8,11-12H,6-7,9H2,1-5H3,(H,16,17,19)
InChIKeyPUZBFKMAHPZDRG-UHFFFAOYSA-N
XLogP1.89
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-tert-butylmorpholin-4-yl)ethyl]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[1-(2-tert-butylmorpholin-4-yl)ethyl]-4-methyl-1H-pyrimidin-6-one (CID 136538282) is 2-[1-(2-tert-butylmorpholin-4-yl)ethyl]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[1-(2-tert-butylmorpholin-4-yl)ethyl]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[1-(2-tert-butylmorpholin-4-yl)ethyl]-4-methyl-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(C(C)N2CCOC(C(C)(C)C)C2)n1.
What is the InChIKey of 2-[1-(2-tert-butylmorpholin-4-yl)ethyl]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is PUZBFKMAHPZDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-10-8-13(19)17-14(16-10)11(2)18-6-7-20-12(9-18)15(3,4)5/h8,11-12H,6-7,9H2,1-5H3,(H,16,17,19).
What are the key properties of 2-[1-(2-tert-butylmorpholin-4-yl)ethyl]-4-methyl-1H-pyrimidin-6-one?
2-[1-(2-tert-butylmorpholin-4-yl)ethyl]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 279.38 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-tert-butylmorpholin-4-yl)ethyl]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136538282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).