4-(methoxymethyl)-2-pyrrolidin-1-yl-1H-pyrimidin-6-one

C10H15N3O2 — CID 135630705

IUPAC4-(methoxymethyl)-2-pyrrolidin-1-yl-1H-pyrimidin-6-one
SMILESCOCc1cc(=O)[nH]c(N2CCCC2)n1
InChIInChI=1S/C10H15N3O2/c1-15-7-8-6-9(14)12-10(11-8)13-4-2-3-5-13/h6H,2-5,7H2,1H3,(H,11,12,14)
InChIKeyOLMIFJJQEIYIJE-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.52
Rot. Bonds3

About 4-(methoxymethyl)-2-pyrrolidin-1-yl-1H-pyrimidin-6-one

4-(methoxymethyl)-2-pyrrolidin-1-yl-1H-pyrimidin-6-one (PubChem CID 135630705) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 4-(methoxymethyl)-2-pyrrolidin-1-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(methoxymethyl)-2-pyrrolidin-1-yl-1H-pyrimidin-6-one
PubChem CID135630705
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name4-(methoxymethyl)-2-pyrrolidin-1-yl-1H-pyrimidin-6-one
SMILESCOCc1cc(=O)[nH]c(N2CCCC2)n1
InChIInChI=1S/C10H15N3O2/c1-15-7-8-6-9(14)12-10(11-8)13-4-2-3-5-13/h6H,2-5,7H2,1H3,(H,11,12,14)
InChIKeyOLMIFJJQEIYIJE-UHFFFAOYSA-N
XLogP0.52
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 ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-2-pyrrolidin-1-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-(methoxymethyl)-2-pyrrolidin-1-yl-1H-pyrimidin-6-one (CID 135630705) is 4-(methoxymethyl)-2-pyrrolidin-1-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(methoxymethyl)-2-pyrrolidin-1-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(methoxymethyl)-2-pyrrolidin-1-yl-1H-pyrimidin-6-one is COCc1cc(=O)[nH]c(N2CCCC2)n1.
What is the InChIKey of 4-(methoxymethyl)-2-pyrrolidin-1-yl-1H-pyrimidin-6-one?
The InChIKey is OLMIFJJQEIYIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-15-7-8-6-9(14)12-10(11-8)13-4-2-3-5-13/h6H,2-5,7H2,1H3,(H,11,12,14).
What are the key properties of 4-(methoxymethyl)-2-pyrrolidin-1-yl-1H-pyrimidin-6-one?
4-(methoxymethyl)-2-pyrrolidin-1-yl-1H-pyrimidin-6-one has a molecular weight of 209.25 g/mol, XLogP of 0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-2-pyrrolidin-1-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 135630705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).