2-(dimethylamino)-5-(morpholine-4-carbonyl)-1H-pyrimidin-6-one

C11H16N4O3 — CID 71220711

IUPAC2-(dimethylamino)-5-(morpholine-4-carbonyl)-1H-pyrimidin-6-one
SMILESCN(C)c1ncc(C(=O)N2CCOCC2)c(=O)[nH]1
InChIInChI=1S/C11H16N4O3/c1-14(2)11-12-7-8(9(16)13-11)10(17)15-3-5-18-6-4-15/h7H,3-6H2,1-2H3,(H,12,13,16)
InChIKeyOJUPJAXSWDKVSX-UHFFFAOYSA-N
MW252.27 g/mol
LogP-0.69
Rot. Bonds2

About 2-(dimethylamino)-5-(morpholine-4-carbonyl)-1H-pyrimidin-6-one

2-(dimethylamino)-5-(morpholine-4-carbonyl)-1H-pyrimidin-6-one (PubChem CID 71220711) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-(dimethylamino)-5-(morpholine-4-carbonyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(dimethylamino)-5-(morpholine-4-carbonyl)-1H-pyrimidin-6-one
PubChem CID71220711
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name2-(dimethylamino)-5-(morpholine-4-carbonyl)-1H-pyrimidin-6-one
SMILESCN(C)c1ncc(C(=O)N2CCOCC2)c(=O)[nH]1
InChIInChI=1S/C11H16N4O3/c1-14(2)11-12-7-8(9(16)13-11)10(17)15-3-5-18-6-4-15/h7H,3-6H2,1-2H3,(H,12,13,16)
InChIKeyOJUPJAXSWDKVSX-UHFFFAOYSA-N
XLogP-0.69
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 5-0.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-5-(morpholine-4-carbonyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(dimethylamino)-5-(morpholine-4-carbonyl)-1H-pyrimidin-6-one (CID 71220711) is 2-(dimethylamino)-5-(morpholine-4-carbonyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(dimethylamino)-5-(morpholine-4-carbonyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(dimethylamino)-5-(morpholine-4-carbonyl)-1H-pyrimidin-6-one is CN(C)c1ncc(C(=O)N2CCOCC2)c(=O)[nH]1.
What is the InChIKey of 2-(dimethylamino)-5-(morpholine-4-carbonyl)-1H-pyrimidin-6-one?
The InChIKey is OJUPJAXSWDKVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-14(2)11-12-7-8(9(16)13-11)10(17)15-3-5-18-6-4-15/h7H,3-6H2,1-2H3,(H,12,13,16).
What are the key properties of 2-(dimethylamino)-5-(morpholine-4-carbonyl)-1H-pyrimidin-6-one?
2-(dimethylamino)-5-(morpholine-4-carbonyl)-1H-pyrimidin-6-one has a molecular weight of 252.27 g/mol, XLogP of -0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-5-(morpholine-4-carbonyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 71220711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).