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

C8H11N3O2 — CID 66569894

IUPAC4-[(3R)-pyrrolidin-3-yl]oxy-1H-pyrimidin-6-one
SMILESO=c1cc(O[C@@H]2CCNC2)nc[nH]1
InChIInChI=1S/C8H11N3O2/c12-7-3-8(11-5-10-7)13-6-1-2-9-4-6/h3,5-6,9H,1-2,4H2,(H,10,11,12)/t6-/m1/s1
InChIKeyCSVPLSKCFUNTIQ-ZCFIWIBFSA-N
MW181.19 g/mol
LogP-0.49
Rot. Bonds2

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

4-[(3R)-pyrrolidin-3-yl]oxy-1H-pyrimidin-6-one (PubChem CID 66569894) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 4-[(3R)-pyrrolidin-3-yl]oxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(3R)-pyrrolidin-3-yl]oxy-1H-pyrimidin-6-one
PubChem CID66569894
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name4-[(3R)-pyrrolidin-3-yl]oxy-1H-pyrimidin-6-one
SMILESO=c1cc(O[C@@H]2CCNC2)nc[nH]1
InChIInChI=1S/C8H11N3O2/c12-7-3-8(11-5-10-7)13-6-1-2-9-4-6/h3,5-6,9H,1-2,4H2,(H,10,11,12)/t6-/m1/s1
InChIKeyCSVPLSKCFUNTIQ-ZCFIWIBFSA-N
XLogP-0.49
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 5-0.49
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-[(6-methylmorpholin-2-yl)methoxy]-1H-pyrimidin-6-one
CID 102635254
4-(2-pyrrolidin-1-ylethoxy)-1H-pyrimidin-6-one
CID 103241431
4-[(3S)-piperidin-3-yl]oxy-1H-pyrimidin-6-one
CID 104939637
4-(pyrrolidin-2-ylmethoxy)-1H-pyrimidin-6-one
CID 114586288
4-[1-(methylamino)propan-2-yloxy]-1H-pyrimidin-6-one
CID 114586307
5-chloro-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one
CID 114586316
2-ethyl-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one
CID 114586317
2-cyclopropyl-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one
CID 114586318
2-propan-2-yl-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one
CID 114586319
5-methoxy-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one
CID 114586320
5-bromo-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one
CID 114586321

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-pyrrolidin-3-yl]oxy-1H-pyrimidin-6-one?
The IUPAC name of 4-[(3R)-pyrrolidin-3-yl]oxy-1H-pyrimidin-6-one (CID 66569894) is 4-[(3R)-pyrrolidin-3-yl]oxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(3R)-pyrrolidin-3-yl]oxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(3R)-pyrrolidin-3-yl]oxy-1H-pyrimidin-6-one is O=c1cc(O[C@@H]2CCNC2)nc[nH]1.
What is the InChIKey of 4-[(3R)-pyrrolidin-3-yl]oxy-1H-pyrimidin-6-one?
The InChIKey is CSVPLSKCFUNTIQ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H11N3O2/c12-7-3-8(11-5-10-7)13-6-1-2-9-4-6/h3,5-6,9H,1-2,4H2,(H,10,11,12)/t6-/m1/s1.
What are the key properties of 4-[(3R)-pyrrolidin-3-yl]oxy-1H-pyrimidin-6-one?
4-[(3R)-pyrrolidin-3-yl]oxy-1H-pyrimidin-6-one has a molecular weight of 181.19 g/mol, XLogP of -0.49, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-pyrrolidin-3-yl]oxy-1H-pyrimidin-6-one is sourced from PubChem (CID 66569894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).