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

C10H15N3O — CID 131064800

IUPAC3-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-4-one
SMILESCN1CCCC1Cn1cnccc1=O
InChIInChI=1S/C10H15N3O/c1-12-6-2-3-9(12)7-13-8-11-5-4-10(13)14/h4-5,8-9H,2-3,6-7H2,1H3
InChIKeySETNULLJIQWUKY-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.34
Rot. Bonds2

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

3-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-4-one (PubChem CID 131064800) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 3-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-4-one.

Molecular Properties

Compound Name3-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-4-one
PubChem CID131064800
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name3-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-4-one
SMILESCN1CCCC1Cn1cnccc1=O
InChIInChI=1S/C10H15N3O/c1-12-6-2-3-9(12)7-13-8-11-5-4-10(13)14/h4-5,8-9H,2-3,6-7H2,1H3
InChIKeySETNULLJIQWUKY-UHFFFAOYSA-N
XLogP0.34
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-4-one?
The IUPAC name of 3-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-4-one (CID 131064800) is 3-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-4-one.
What is the SMILES notation for 3-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-4-one?
The canonical SMILES for 3-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-4-one is CN1CCCC1Cn1cnccc1=O.
What is the InChIKey of 3-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-4-one?
The InChIKey is SETNULLJIQWUKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-12-6-2-3-9(12)7-13-8-11-5-4-10(13)14/h4-5,8-9H,2-3,6-7H2,1H3.
What are the key properties of 3-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-4-one?
3-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-4-one has a molecular weight of 193.25 g/mol, XLogP of 0.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-4-one is sourced from PubChem (CID 131064800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).