4-(pyrrolidin-2-ylmethoxy)-1H-pyrimidin-6-one

C9H13N3O2 — CID 114586288

IUPAC4-(pyrrolidin-2-ylmethoxy)-1H-pyrimidin-6-one
SMILESO=c1cc(OCC2CCCN2)nc[nH]1
InChIInChI=1S/C9H13N3O2/c13-8-4-9(12-6-11-8)14-5-7-2-1-3-10-7/h4,6-7,10H,1-3,5H2,(H,11,12,13)
InChIKeyUYPJLBKDDYNTAB-UHFFFAOYSA-N
MW195.22 g/mol
LogP-0.10
Rot. Bonds3

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

4-(pyrrolidin-2-ylmethoxy)-1H-pyrimidin-6-one (PubChem CID 114586288) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 4-(pyrrolidin-2-ylmethoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(pyrrolidin-2-ylmethoxy)-1H-pyrimidin-6-one
PubChem CID114586288
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name4-(pyrrolidin-2-ylmethoxy)-1H-pyrimidin-6-one
SMILESO=c1cc(OCC2CCCN2)nc[nH]1
InChIInChI=1S/C9H13N3O2/c13-8-4-9(12-6-11-8)14-5-7-2-1-3-10-7/h4,6-7,10H,1-3,5H2,(H,11,12,13)
InChIKeyUYPJLBKDDYNTAB-UHFFFAOYSA-N
XLogP-0.10
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(R)-6-(Pyrrolidin-3-yloxy)pyrimidin-4-ol hydrochloride
CID 66569893
4-[(3R)-pyrrolidin-3-yl]oxy-1H-pyrimidin-6-one
CID 66569894
4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1H-pyrimidin-6-one
CID 103241408
4-(2-pyrrolidin-1-ylethoxy)-1H-pyrimidin-6-one
CID 103241431
2-cyclopropyl-4-(pyrrolidin-2-ylmethoxy)-1H-pyrimidin-6-one
CID 113604862
5-chloro-4-(pyrrolidin-2-ylmethoxy)-1H-pyrimidin-6-one
CID 114586287
2-ethyl-4-(pyrrolidin-2-ylmethoxy)-1H-pyrimidin-6-one
CID 114586289
2-propan-2-yl-4-(pyrrolidin-2-ylmethoxy)-1H-pyrimidin-6-one
CID 114586290
5-methoxy-4-(pyrrolidin-2-ylmethoxy)-1H-pyrimidin-6-one
CID 114586291
5-bromo-4-(pyrrolidin-2-ylmethoxy)-1H-pyrimidin-6-one
CID 114586292
5-amino-4-(pyrrolidin-2-ylmethoxy)-1H-pyrimidin-6-one
CID 114586293
2-methyl-4-(pyrrolidin-2-ylmethoxy)-1H-pyrimidin-6-one
CID 114586294

Frequently Asked Questions

What is the IUPAC name of 4-(pyrrolidin-2-ylmethoxy)-1H-pyrimidin-6-one?
The IUPAC name of 4-(pyrrolidin-2-ylmethoxy)-1H-pyrimidin-6-one (CID 114586288) is 4-(pyrrolidin-2-ylmethoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(pyrrolidin-2-ylmethoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(pyrrolidin-2-ylmethoxy)-1H-pyrimidin-6-one is O=c1cc(OCC2CCCN2)nc[nH]1.
What is the InChIKey of 4-(pyrrolidin-2-ylmethoxy)-1H-pyrimidin-6-one?
The InChIKey is UYPJLBKDDYNTAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c13-8-4-9(12-6-11-8)14-5-7-2-1-3-10-7/h4,6-7,10H,1-3,5H2,(H,11,12,13).
What are the key properties of 4-(pyrrolidin-2-ylmethoxy)-1H-pyrimidin-6-one?
4-(pyrrolidin-2-ylmethoxy)-1H-pyrimidin-6-one has a molecular weight of 195.22 g/mol, XLogP of -0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyrrolidin-2-ylmethoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 114586288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).