6-methyl-3-[(1-methyl-5-oxopyrrolidin-2-yl)methyl]pyrimidin-4-one

C11H15N3O2 — CID 126857550

IUPAC6-methyl-3-[(1-methyl-5-oxopyrrolidin-2-yl)methyl]pyrimidin-4-one
SMILESCc1cc(=O)n(CC2CCC(=O)N2C)cn1
InChIInChI=1S/C11H15N3O2/c1-8-5-11(16)14(7-12-8)6-9-3-4-10(15)13(9)2/h5,7,9H,3-4,6H2,1-2H3
InChIKeyPJMAJRPOJWYTTK-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.17
Rot. Bonds2

About 6-methyl-3-[(1-methyl-5-oxopyrrolidin-2-yl)methyl]pyrimidin-4-one

6-methyl-3-[(1-methyl-5-oxopyrrolidin-2-yl)methyl]pyrimidin-4-one (PubChem CID 126857550) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 6-methyl-3-[(1-methyl-5-oxopyrrolidin-2-yl)methyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-methyl-3-[(1-methyl-5-oxopyrrolidin-2-yl)methyl]pyrimidin-4-one
PubChem CID126857550
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name6-methyl-3-[(1-methyl-5-oxopyrrolidin-2-yl)methyl]pyrimidin-4-one
SMILESCc1cc(=O)n(CC2CCC(=O)N2C)cn1
InChIInChI=1S/C11H15N3O2/c1-8-5-11(16)14(7-12-8)6-9-3-4-10(15)13(9)2/h5,7,9H,3-4,6H2,1-2H3
InChIKeyPJMAJRPOJWYTTK-UHFFFAOYSA-N
XLogP0.17
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[(1-methyl-5-oxopyrrolidin-2-yl)methyl]pyrimidin-4-one?
The IUPAC name of 6-methyl-3-[(1-methyl-5-oxopyrrolidin-2-yl)methyl]pyrimidin-4-one (CID 126857550) is 6-methyl-3-[(1-methyl-5-oxopyrrolidin-2-yl)methyl]pyrimidin-4-one.
What is the SMILES notation for 6-methyl-3-[(1-methyl-5-oxopyrrolidin-2-yl)methyl]pyrimidin-4-one?
The canonical SMILES for 6-methyl-3-[(1-methyl-5-oxopyrrolidin-2-yl)methyl]pyrimidin-4-one is Cc1cc(=O)n(CC2CCC(=O)N2C)cn1.
What is the InChIKey of 6-methyl-3-[(1-methyl-5-oxopyrrolidin-2-yl)methyl]pyrimidin-4-one?
The InChIKey is PJMAJRPOJWYTTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-8-5-11(16)14(7-12-8)6-9-3-4-10(15)13(9)2/h5,7,9H,3-4,6H2,1-2H3.
What are the key properties of 6-methyl-3-[(1-methyl-5-oxopyrrolidin-2-yl)methyl]pyrimidin-4-one?
6-methyl-3-[(1-methyl-5-oxopyrrolidin-2-yl)methyl]pyrimidin-4-one has a molecular weight of 221.26 g/mol, XLogP of 0.17, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[(1-methyl-5-oxopyrrolidin-2-yl)methyl]pyrimidin-4-one is sourced from PubChem (CID 126857550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).