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

C12H20N4O2 — CID 136822013

IUPAC5-amino-4-(2,2,6,6-tetramethylmorpholin-4-yl)-1H-pyrimidin-6-one
SMILESCC1(C)CN(c2nc[nH]c(=O)c2N)CC(C)(C)O1
InChIInChI=1S/C12H20N4O2/c1-11(2)5-16(6-12(3,4)18-11)9-8(13)10(17)15-7-14-9/h7H,5-6,13H2,1-4H3,(H,14,15,17)
InChIKeyJOCHFVCEHDSLGD-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.75
Rot. Bonds1

About 5-amino-4-(2,2,6,6-tetramethylmorpholin-4-yl)-1H-pyrimidin-6-one

5-amino-4-(2,2,6,6-tetramethylmorpholin-4-yl)-1H-pyrimidin-6-one (PubChem CID 136822013) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 5-amino-4-(2,2,6,6-tetramethylmorpholin-4-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-(2,2,6,6-tetramethylmorpholin-4-yl)-1H-pyrimidin-6-one
PubChem CID136822013
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name5-amino-4-(2,2,6,6-tetramethylmorpholin-4-yl)-1H-pyrimidin-6-one
SMILESCC1(C)CN(c2nc[nH]c(=O)c2N)CC(C)(C)O1
InChIInChI=1S/C12H20N4O2/c1-11(2)5-16(6-12(3,4)18-11)9-8(13)10(17)15-7-14-9/h7H,5-6,13H2,1-4H3,(H,14,15,17)
InChIKeyJOCHFVCEHDSLGD-UHFFFAOYSA-N
XLogP0.75
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(2,2,6,6-tetramethylmorpholin-4-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-(2,2,6,6-tetramethylmorpholin-4-yl)-1H-pyrimidin-6-one (CID 136822013) is 5-amino-4-(2,2,6,6-tetramethylmorpholin-4-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-(2,2,6,6-tetramethylmorpholin-4-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-(2,2,6,6-tetramethylmorpholin-4-yl)-1H-pyrimidin-6-one is CC1(C)CN(c2nc[nH]c(=O)c2N)CC(C)(C)O1.
What is the InChIKey of 5-amino-4-(2,2,6,6-tetramethylmorpholin-4-yl)-1H-pyrimidin-6-one?
The InChIKey is JOCHFVCEHDSLGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-11(2)5-16(6-12(3,4)18-11)9-8(13)10(17)15-7-14-9/h7H,5-6,13H2,1-4H3,(H,14,15,17).
What are the key properties of 5-amino-4-(2,2,6,6-tetramethylmorpholin-4-yl)-1H-pyrimidin-6-one?
5-amino-4-(2,2,6,6-tetramethylmorpholin-4-yl)-1H-pyrimidin-6-one has a molecular weight of 252.32 g/mol, XLogP of 0.75, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(2,2,6,6-tetramethylmorpholin-4-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136822013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).