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

C11H15N3O3 — CID 136911217

IUPAC2,4-dimethyl-5-(morpholine-4-carbonyl)-1H-pyrimidin-6-one
SMILESCc1nc(C)c(C(=O)N2CCOCC2)c(=O)[nH]1
InChIInChI=1S/C11H15N3O3/c1-7-9(10(15)13-8(2)12-7)11(16)14-3-5-17-6-4-14/h3-6H2,1-2H3,(H,12,13,15)
InChIKeySJQVDIDMMYDJKV-UHFFFAOYSA-N
MW237.26 g/mol
LogP-0.14
Rot. Bonds1

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

2,4-dimethyl-5-(morpholine-4-carbonyl)-1H-pyrimidin-6-one (PubChem CID 136911217) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 2,4-dimethyl-5-(morpholine-4-carbonyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2,4-dimethyl-5-(morpholine-4-carbonyl)-1H-pyrimidin-6-one
PubChem CID136911217
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name2,4-dimethyl-5-(morpholine-4-carbonyl)-1H-pyrimidin-6-one
SMILESCc1nc(C)c(C(=O)N2CCOCC2)c(=O)[nH]1
InChIInChI=1S/C11H15N3O3/c1-7-9(10(15)13-8(2)12-7)11(16)14-3-5-17-6-4-14/h3-6H2,1-2H3,(H,12,13,15)
InChIKeySJQVDIDMMYDJKV-UHFFFAOYSA-N
XLogP-0.14
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5-(morpholine-4-carbonyl)-1H-pyrimidin-6-one?
The IUPAC name of 2,4-dimethyl-5-(morpholine-4-carbonyl)-1H-pyrimidin-6-one (CID 136911217) is 2,4-dimethyl-5-(morpholine-4-carbonyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2,4-dimethyl-5-(morpholine-4-carbonyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2,4-dimethyl-5-(morpholine-4-carbonyl)-1H-pyrimidin-6-one is Cc1nc(C)c(C(=O)N2CCOCC2)c(=O)[nH]1.
What is the InChIKey of 2,4-dimethyl-5-(morpholine-4-carbonyl)-1H-pyrimidin-6-one?
The InChIKey is SJQVDIDMMYDJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-7-9(10(15)13-8(2)12-7)11(16)14-3-5-17-6-4-14/h3-6H2,1-2H3,(H,12,13,15).
What are the key properties of 2,4-dimethyl-5-(morpholine-4-carbonyl)-1H-pyrimidin-6-one?
2,4-dimethyl-5-(morpholine-4-carbonyl)-1H-pyrimidin-6-one has a molecular weight of 237.26 g/mol, XLogP of -0.14, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-(morpholine-4-carbonyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136911217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).