4,6-dimethyl-1-(morpholin-2-ylmethyl)pyrimidin-2-one

C11H17N3O2 — CID 64533446

IUPAC4,6-dimethyl-1-(morpholin-2-ylmethyl)pyrimidin-2-one
SMILESCc1cc(C)n(CC2CNCCO2)c(=O)n1
InChIInChI=1S/C11H17N3O2/c1-8-5-9(2)14(11(15)13-8)7-10-6-12-3-4-16-10/h5,10,12H,3-4,6-7H2,1-2H3
InChIKeyZVSHHRPBHQEETH-UHFFFAOYSA-N
MW223.28 g/mol
LogP-0.15
Rot. Bonds2

About 4,6-dimethyl-1-(morpholin-2-ylmethyl)pyrimidin-2-one

4,6-dimethyl-1-(morpholin-2-ylmethyl)pyrimidin-2-one (PubChem CID 64533446) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 4,6-dimethyl-1-(morpholin-2-ylmethyl)pyrimidin-2-one.

Molecular Properties

Compound Name4,6-dimethyl-1-(morpholin-2-ylmethyl)pyrimidin-2-one
PubChem CID64533446
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name4,6-dimethyl-1-(morpholin-2-ylmethyl)pyrimidin-2-one
SMILESCc1cc(C)n(CC2CNCCO2)c(=O)n1
InChIInChI=1S/C11H17N3O2/c1-8-5-9(2)14(11(15)13-8)7-10-6-12-3-4-16-10/h5,10,12H,3-4,6-7H2,1-2H3
InChIKeyZVSHHRPBHQEETH-UHFFFAOYSA-N
XLogP-0.15
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-1-(morpholin-2-ylmethyl)pyrimidin-2-one?
The IUPAC name of 4,6-dimethyl-1-(morpholin-2-ylmethyl)pyrimidin-2-one (CID 64533446) is 4,6-dimethyl-1-(morpholin-2-ylmethyl)pyrimidin-2-one.
What is the SMILES notation for 4,6-dimethyl-1-(morpholin-2-ylmethyl)pyrimidin-2-one?
The canonical SMILES for 4,6-dimethyl-1-(morpholin-2-ylmethyl)pyrimidin-2-one is Cc1cc(C)n(CC2CNCCO2)c(=O)n1.
What is the InChIKey of 4,6-dimethyl-1-(morpholin-2-ylmethyl)pyrimidin-2-one?
The InChIKey is ZVSHHRPBHQEETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-8-5-9(2)14(11(15)13-8)7-10-6-12-3-4-16-10/h5,10,12H,3-4,6-7H2,1-2H3.
What are the key properties of 4,6-dimethyl-1-(morpholin-2-ylmethyl)pyrimidin-2-one?
4,6-dimethyl-1-(morpholin-2-ylmethyl)pyrimidin-2-one has a molecular weight of 223.28 g/mol, XLogP of -0.15, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-1-(morpholin-2-ylmethyl)pyrimidin-2-one is sourced from PubChem (CID 64533446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).