5-methoxy-4-(pyrrolidin-3-ylmethoxy)-1H-pyrimidin-6-one

C10H15N3O3 — CID 114586429

IUPAC5-methoxy-4-(pyrrolidin-3-ylmethoxy)-1H-pyrimidin-6-one
SMILESCOc1c(OCC2CCNC2)nc[nH]c1=O
InChIInChI=1S/C10H15N3O3/c1-15-8-9(14)12-6-13-10(8)16-5-7-2-3-11-4-7/h6-7,11H,2-5H2,1H3,(H,12,13,14)
InChIKeySRYINFNQSZQSII-UHFFFAOYSA-N
MW225.25 g/mol
LogP-0.23
Rot. Bonds4

About 5-methoxy-4-(pyrrolidin-3-ylmethoxy)-1H-pyrimidin-6-one

5-methoxy-4-(pyrrolidin-3-ylmethoxy)-1H-pyrimidin-6-one (PubChem CID 114586429) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 5-methoxy-4-(pyrrolidin-3-ylmethoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methoxy-4-(pyrrolidin-3-ylmethoxy)-1H-pyrimidin-6-one
PubChem CID114586429
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name5-methoxy-4-(pyrrolidin-3-ylmethoxy)-1H-pyrimidin-6-one
SMILESCOc1c(OCC2CCNC2)nc[nH]c1=O
InChIInChI=1S/C10H15N3O3/c1-15-8-9(14)12-6-13-10(8)16-5-7-2-3-11-4-7/h6-7,11H,2-5H2,1H3,(H,12,13,14)
InChIKeySRYINFNQSZQSII-UHFFFAOYSA-N
XLogP-0.23
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-(pyrrolidin-3-ylmethoxy)-1H-pyrimidin-6-one?
The IUPAC name of 5-methoxy-4-(pyrrolidin-3-ylmethoxy)-1H-pyrimidin-6-one (CID 114586429) is 5-methoxy-4-(pyrrolidin-3-ylmethoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methoxy-4-(pyrrolidin-3-ylmethoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 5-methoxy-4-(pyrrolidin-3-ylmethoxy)-1H-pyrimidin-6-one is COc1c(OCC2CCNC2)nc[nH]c1=O.
What is the InChIKey of 5-methoxy-4-(pyrrolidin-3-ylmethoxy)-1H-pyrimidin-6-one?
The InChIKey is SRYINFNQSZQSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-15-8-9(14)12-6-13-10(8)16-5-7-2-3-11-4-7/h6-7,11H,2-5H2,1H3,(H,12,13,14).
What are the key properties of 5-methoxy-4-(pyrrolidin-3-ylmethoxy)-1H-pyrimidin-6-one?
5-methoxy-4-(pyrrolidin-3-ylmethoxy)-1H-pyrimidin-6-one has a molecular weight of 225.25 g/mol, XLogP of -0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-(pyrrolidin-3-ylmethoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 114586429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).