2-ethyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)-1H-pyrimidin-6-one

C14H23N3O2 — CID 136822017

IUPAC2-ethyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)-1H-pyrimidin-6-one
SMILESCCc1nc(N2CC(C)(C)OC(C)(C)C2)cc(=O)[nH]1
InChIInChI=1S/C14H23N3O2/c1-6-10-15-11(7-12(18)16-10)17-8-13(2,3)19-14(4,5)9-17/h7H,6,8-9H2,1-5H3,(H,15,16,18)
InChIKeyOTPXSECVBDNUBV-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.73
Rot. Bonds2

About 2-ethyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)-1H-pyrimidin-6-one

2-ethyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)-1H-pyrimidin-6-one (PubChem CID 136822017) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-ethyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)-1H-pyrimidin-6-one
PubChem CID136822017
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name2-ethyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)-1H-pyrimidin-6-one
SMILESCCc1nc(N2CC(C)(C)OC(C)(C)C2)cc(=O)[nH]1
InChIInChI=1S/C14H23N3O2/c1-6-10-15-11(7-12(18)16-10)17-8-13(2,3)19-14(4,5)9-17/h7H,6,8-9H2,1-5H3,(H,15,16,18)
InChIKeyOTPXSECVBDNUBV-UHFFFAOYSA-N
XLogP1.73
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)-1H-pyrimidin-6-one (CID 136822017) is 2-ethyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)-1H-pyrimidin-6-one is CCc1nc(N2CC(C)(C)OC(C)(C)C2)cc(=O)[nH]1.
What is the InChIKey of 2-ethyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)-1H-pyrimidin-6-one?
The InChIKey is OTPXSECVBDNUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-6-10-15-11(7-12(18)16-10)17-8-13(2,3)19-14(4,5)9-17/h7H,6,8-9H2,1-5H3,(H,15,16,18).
What are the key properties of 2-ethyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)-1H-pyrimidin-6-one?
2-ethyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)-1H-pyrimidin-6-one has a molecular weight of 265.36 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136822017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).