3-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]pyrimidin-4-one

C10H13N3O2 — CID 126857506

IUPAC3-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]pyrimidin-4-one
SMILESCN1CC(Cn2cnccc2=O)CC1=O
InChIInChI=1S/C10H13N3O2/c1-12-5-8(4-10(12)15)6-13-7-11-3-2-9(13)14/h2-3,7-8H,4-6H2,1H3
InChIKeyPIKMYCXKKWKQCY-UHFFFAOYSA-N
MW207.23 g/mol
LogP-0.28
Rot. Bonds2

About 3-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]pyrimidin-4-one

3-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]pyrimidin-4-one (PubChem CID 126857506) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 3-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]pyrimidin-4-one.

Molecular Properties

Compound Name3-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]pyrimidin-4-one
PubChem CID126857506
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name3-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]pyrimidin-4-one
SMILESCN1CC(Cn2cnccc2=O)CC1=O
InChIInChI=1S/C10H13N3O2/c1-12-5-8(4-10(12)15)6-13-7-11-3-2-9(13)14/h2-3,7-8H,4-6H2,1H3
InChIKeyPIKMYCXKKWKQCY-UHFFFAOYSA-N
XLogP-0.28
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 5-0.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]pyrimidin-4-one?
The IUPAC name of 3-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]pyrimidin-4-one (CID 126857506) is 3-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]pyrimidin-4-one.
What is the SMILES notation for 3-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]pyrimidin-4-one?
The canonical SMILES for 3-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]pyrimidin-4-one is CN1CC(Cn2cnccc2=O)CC1=O.
What is the InChIKey of 3-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]pyrimidin-4-one?
The InChIKey is PIKMYCXKKWKQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-12-5-8(4-10(12)15)6-13-7-11-3-2-9(13)14/h2-3,7-8H,4-6H2,1H3.
What are the key properties of 3-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]pyrimidin-4-one?
3-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]pyrimidin-4-one has a molecular weight of 207.23 g/mol, XLogP of -0.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]pyrimidin-4-one is sourced from PubChem (CID 126857506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).