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

C10H13N3O2 — CID 126857514

IUPAC3-[(1-methyl-5-oxopyrrolidin-2-yl)methyl]pyrimidin-4-one
SMILESCN1C(=O)CCC1Cn1cnccc1=O
InChIInChI=1S/C10H13N3O2/c1-12-8(2-3-9(12)14)6-13-7-11-5-4-10(13)15/h4-5,7-8H,2-3,6H2,1H3
InChIKeyDLIKLQFDRPBXCR-UHFFFAOYSA-N
MW207.23 g/mol
LogP-0.14
Rot. Bonds2

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

3-[(1-methyl-5-oxopyrrolidin-2-yl)methyl]pyrimidin-4-one (PubChem CID 126857514) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 3-[(1-methyl-5-oxopyrrolidin-2-yl)methyl]pyrimidin-4-one.

Molecular Properties

Compound Name3-[(1-methyl-5-oxopyrrolidin-2-yl)methyl]pyrimidin-4-one
PubChem CID126857514
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name3-[(1-methyl-5-oxopyrrolidin-2-yl)methyl]pyrimidin-4-one
SMILESCN1C(=O)CCC1Cn1cnccc1=O
InChIInChI=1S/C10H13N3O2/c1-12-8(2-3-9(12)14)6-13-7-11-5-4-10(13)15/h4-5,7-8H,2-3,6H2,1H3
InChIKeyDLIKLQFDRPBXCR-UHFFFAOYSA-N
XLogP-0.14
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 ≤ 5-0.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-Oxocyclopentyl)-3,4-dihydropyrimidin-4-one
CID 126857510
6-Methyl-3-[(1-methyl-5-oxopyrrolidin-2-yl)methyl]-3,4-dihydropyrimidin-4-one
CID 126857550
3-({1-[(1-Methyl-5-oxopyrrolidin-2-yl)methyl]piperidin-4-yl}methyl)-3,4-dihydropyrimidin-4-one
CID 126944980
3-[(5-Oxopyrrolidin-2-yl)methyl]pyrimidin-4-one
CID 130162707
3-[(1-Methylpyrrolidin-2-yl)methyl]pyrimidin-4-one
CID 131064800

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methyl-5-oxopyrrolidin-2-yl)methyl]pyrimidin-4-one?
The IUPAC name of 3-[(1-methyl-5-oxopyrrolidin-2-yl)methyl]pyrimidin-4-one (CID 126857514) is 3-[(1-methyl-5-oxopyrrolidin-2-yl)methyl]pyrimidin-4-one.
What is the SMILES notation for 3-[(1-methyl-5-oxopyrrolidin-2-yl)methyl]pyrimidin-4-one?
The canonical SMILES for 3-[(1-methyl-5-oxopyrrolidin-2-yl)methyl]pyrimidin-4-one is CN1C(=O)CCC1Cn1cnccc1=O.
What is the InChIKey of 3-[(1-methyl-5-oxopyrrolidin-2-yl)methyl]pyrimidin-4-one?
The InChIKey is DLIKLQFDRPBXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-12-8(2-3-9(12)14)6-13-7-11-5-4-10(13)15/h4-5,7-8H,2-3,6H2,1H3.
What are the key properties of 3-[(1-methyl-5-oxopyrrolidin-2-yl)methyl]pyrimidin-4-one?
3-[(1-methyl-5-oxopyrrolidin-2-yl)methyl]pyrimidin-4-one has a molecular weight of 207.23 g/mol, XLogP of -0.14, 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-2-yl)methyl]pyrimidin-4-one is sourced from PubChem (CID 126857514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).