4-[3-(methoxymethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one

C10H15N3O2 — CID 136957945

IUPAC4-[3-(methoxymethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one
SMILESCOCC1CCN(c2cc(=O)[nH]cn2)C1
InChIInChI=1S/C10H15N3O2/c1-15-6-8-2-3-13(5-8)9-4-10(14)12-7-11-9/h4,7-8H,2-3,5-6H2,1H3,(H,11,12,14)
InChIKeyPHKGSRKAVFPORU-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.24
Rot. Bonds3

About 4-[3-(methoxymethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one

4-[3-(methoxymethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one (PubChem CID 136957945) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 4-[3-(methoxymethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[3-(methoxymethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one
PubChem CID136957945
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name4-[3-(methoxymethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one
SMILESCOCC1CCN(c2cc(=O)[nH]cn2)C1
InChIInChI=1S/C10H15N3O2/c1-15-6-8-2-3-13(5-8)9-4-10(14)12-7-11-9/h4,7-8H,2-3,5-6H2,1H3,(H,11,12,14)
InChIKeyPHKGSRKAVFPORU-UHFFFAOYSA-N
XLogP0.24
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(methoxymethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 4-[3-(methoxymethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one (CID 136957945) is 4-[3-(methoxymethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[3-(methoxymethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[3-(methoxymethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one is COCC1CCN(c2cc(=O)[nH]cn2)C1.
What is the InChIKey of 4-[3-(methoxymethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is PHKGSRKAVFPORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-15-6-8-2-3-13(5-8)9-4-10(14)12-7-11-9/h4,7-8H,2-3,5-6H2,1H3,(H,11,12,14).
What are the key properties of 4-[3-(methoxymethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one?
4-[3-(methoxymethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 209.25 g/mol, XLogP of 0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(methoxymethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136957945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).