5-chloro-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one

C8H10ClN3O2 — CID 114586316

IUPAC5-chloro-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(OC2CCNC2)c1Cl
InChIInChI=1S/C8H10ClN3O2/c9-6-7(13)11-4-12-8(6)14-5-1-2-10-3-5/h4-5,10H,1-3H2,(H,11,12,13)
InChIKeyHAYYOIVTUPNAMJ-UHFFFAOYSA-N
MW215.64 g/mol
LogP0.16
Rot. Bonds2

About 5-chloro-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one

5-chloro-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one (PubChem CID 114586316) has the molecular formula C8H10ClN3O2 and a molecular weight of 215.64 g/mol. Its IUPAC name is 5-chloro-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one
PubChem CID114586316
Molecular FormulaC8H10ClN3O2
Molecular Weight215.64 g/mol
Exact Mass215.05
IUPAC Name5-chloro-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(OC2CCNC2)c1Cl
InChIInChI=1S/C8H10ClN3O2/c9-6-7(13)11-4-12-8(6)14-5-1-2-10-3-5/h4-5,10H,1-3H2,(H,11,12,13)
InChIKeyHAYYOIVTUPNAMJ-UHFFFAOYSA-N
XLogP0.16
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.64
LogP ≤ 50.16
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
5-chloro-4-[(6-methylmorpholin-2-yl)methoxy]-1H-pyrimidin-6-one
CID 102635388
5-chloro-4-[(3S)-piperidin-3-yl]oxy-1H-pyrimidin-6-one
CID 104939636
5-chloro-4-piperidin-4-yloxy-1H-pyrimidin-6-one
CID 114586278
5-chloro-4-(pyrrolidin-2-ylmethoxy)-1H-pyrimidin-6-one
CID 114586287
5-chloro-4-[1-(methylamino)propan-2-yloxy]-1H-pyrimidin-6-one
CID 114586306
5-methoxy-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one
CID 114586320
5-bromo-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one
CID 114586321
5-amino-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one
CID 114586322
5-iodo-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one
CID 114586324
5-chloro-4-[2-(ethylamino)ethoxy]-1H-pyrimidin-6-one
CID 114586325

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one (CID 114586316) is 5-chloro-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one is O=c1[nH]cnc(OC2CCNC2)c1Cl.
What is the InChIKey of 5-chloro-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one?
The InChIKey is HAYYOIVTUPNAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3O2/c9-6-7(13)11-4-12-8(6)14-5-1-2-10-3-5/h4-5,10H,1-3H2,(H,11,12,13).
What are the key properties of 5-chloro-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one?
5-chloro-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one has a molecular weight of 215.64 g/mol, XLogP of 0.16, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one is sourced from PubChem (CID 114586316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).