4-(2-pyrrolidin-3-ylethoxy)-1H-pyrimidin-6-one

C10H15N3O2 — CID 114796504

IUPAC4-(2-pyrrolidin-3-ylethoxy)-1H-pyrimidin-6-one
SMILESO=c1cc(OCCC2CCNC2)nc[nH]1
InChIInChI=1S/C10H15N3O2/c14-9-5-10(13-7-12-9)15-4-2-8-1-3-11-6-8/h5,7-8,11H,1-4,6H2,(H,12,13,14)
InChIKeyGYVKQUMQRLVWOY-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.15
Rot. Bonds4

About 4-(2-pyrrolidin-3-ylethoxy)-1H-pyrimidin-6-one

4-(2-pyrrolidin-3-ylethoxy)-1H-pyrimidin-6-one (PubChem CID 114796504) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 4-(2-pyrrolidin-3-ylethoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-pyrrolidin-3-ylethoxy)-1H-pyrimidin-6-one
PubChem CID114796504
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name4-(2-pyrrolidin-3-ylethoxy)-1H-pyrimidin-6-one
SMILESO=c1cc(OCCC2CCNC2)nc[nH]1
InChIInChI=1S/C10H15N3O2/c14-9-5-10(13-7-12-9)15-4-2-8-1-3-11-6-8/h5,7-8,11H,1-4,6H2,(H,12,13,14)
InChIKeyGYVKQUMQRLVWOY-UHFFFAOYSA-N
XLogP0.15
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-propan-2-yl-4-(2-pyrrolidin-3-ylethoxy)-1H-pyrimidin-6-one
CID 113634875
2-ethyl-4-(2-pyrrolidin-3-ylethoxy)-1H-pyrimidin-6-one
CID 113634888
4-(pyrrolidin-2-ylmethoxy)-1H-pyrimidin-6-one
CID 114586288
4-(piperidin-4-ylmethoxy)-1H-pyrimidin-6-one
CID 114586345
4-(piperidin-3-ylmethoxy)-1H-pyrimidin-6-one
CID 114586408
4-(pyrrolidin-3-ylmethoxy)-1H-pyrimidin-6-one
CID 114586426
2-methyl-4-(2-pyrrolidin-3-ylethoxy)-1H-pyrimidin-6-one
CID 114796340
5-iodo-4-(2-pyrrolidin-3-ylethoxy)-1H-pyrimidin-6-one
CID 114796346
5-amino-4-(2-pyrrolidin-3-ylethoxy)-1H-pyrimidin-6-one
CID 114796357
5-bromo-4-(2-pyrrolidin-3-ylethoxy)-1H-pyrimidin-6-one
CID 114796538
2-cyclopropyl-4-(2-pyrrolidin-3-ylethoxy)-1H-pyrimidin-6-one
CID 114796546
5-chloro-4-(2-pyrrolidin-3-ylethoxy)-1H-pyrimidin-6-one
CID 114796574

Frequently Asked Questions

What is the IUPAC name of 4-(2-pyrrolidin-3-ylethoxy)-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-pyrrolidin-3-ylethoxy)-1H-pyrimidin-6-one (CID 114796504) is 4-(2-pyrrolidin-3-ylethoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-pyrrolidin-3-ylethoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-pyrrolidin-3-ylethoxy)-1H-pyrimidin-6-one is O=c1cc(OCCC2CCNC2)nc[nH]1.
What is the InChIKey of 4-(2-pyrrolidin-3-ylethoxy)-1H-pyrimidin-6-one?
The InChIKey is GYVKQUMQRLVWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c14-9-5-10(13-7-12-9)15-4-2-8-1-3-11-6-8/h5,7-8,11H,1-4,6H2,(H,12,13,14).
What are the key properties of 4-(2-pyrrolidin-3-ylethoxy)-1H-pyrimidin-6-one?
4-(2-pyrrolidin-3-ylethoxy)-1H-pyrimidin-6-one has a molecular weight of 209.25 g/mol, XLogP of 0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-pyrrolidin-3-ylethoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 114796504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).