4,6-dimethyl-1-(pyrrolidin-3-ylmethyl)pyrimidin-2-one

C11H17N3O — CID 62370554

IUPAC4,6-dimethyl-1-(pyrrolidin-3-ylmethyl)pyrimidin-2-one
SMILESCc1cc(C)n(CC2CCNC2)c(=O)n1
InChIInChI=1S/C11H17N3O/c1-8-5-9(2)14(11(15)13-8)7-10-3-4-12-6-10/h5,10,12H,3-4,6-7H2,1-2H3
InChIKeyPGLANXQKWFZMSL-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.47
Rot. Bonds2

About 4,6-dimethyl-1-(pyrrolidin-3-ylmethyl)pyrimidin-2-one

4,6-dimethyl-1-(pyrrolidin-3-ylmethyl)pyrimidin-2-one (PubChem CID 62370554) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 4,6-dimethyl-1-(pyrrolidin-3-ylmethyl)pyrimidin-2-one.

Molecular Properties

Compound Name4,6-dimethyl-1-(pyrrolidin-3-ylmethyl)pyrimidin-2-one
PubChem CID62370554
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name4,6-dimethyl-1-(pyrrolidin-3-ylmethyl)pyrimidin-2-one
SMILESCc1cc(C)n(CC2CCNC2)c(=O)n1
InChIInChI=1S/C11H17N3O/c1-8-5-9(2)14(11(15)13-8)7-10-3-4-12-6-10/h5,10,12H,3-4,6-7H2,1-2H3
InChIKeyPGLANXQKWFZMSL-UHFFFAOYSA-N
XLogP0.47
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-1-(pyrrolidin-3-ylmethyl)pyrimidin-2-one?
The IUPAC name of 4,6-dimethyl-1-(pyrrolidin-3-ylmethyl)pyrimidin-2-one (CID 62370554) is 4,6-dimethyl-1-(pyrrolidin-3-ylmethyl)pyrimidin-2-one.
What is the SMILES notation for 4,6-dimethyl-1-(pyrrolidin-3-ylmethyl)pyrimidin-2-one?
The canonical SMILES for 4,6-dimethyl-1-(pyrrolidin-3-ylmethyl)pyrimidin-2-one is Cc1cc(C)n(CC2CCNC2)c(=O)n1.
What is the InChIKey of 4,6-dimethyl-1-(pyrrolidin-3-ylmethyl)pyrimidin-2-one?
The InChIKey is PGLANXQKWFZMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-8-5-9(2)14(11(15)13-8)7-10-3-4-12-6-10/h5,10,12H,3-4,6-7H2,1-2H3.
What are the key properties of 4,6-dimethyl-1-(pyrrolidin-3-ylmethyl)pyrimidin-2-one?
4,6-dimethyl-1-(pyrrolidin-3-ylmethyl)pyrimidin-2-one has a molecular weight of 207.28 g/mol, XLogP of 0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-1-(pyrrolidin-3-ylmethyl)pyrimidin-2-one is sourced from PubChem (CID 62370554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).