2-cyclopropyl-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one

C11H15N3O2 — CID 114586318

IUPAC2-cyclopropyl-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one
SMILESO=c1cc(OC2CCNC2)nc(C2CC2)[nH]1
InChIInChI=1S/C11H15N3O2/c15-9-5-10(16-8-3-4-12-6-8)14-11(13-9)7-1-2-7/h5,7-8,12H,1-4,6H2,(H,13,14,15)
InChIKeyOBHKKKAYNCINAD-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.39
Rot. Bonds3

About 2-cyclopropyl-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one

2-cyclopropyl-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one (PubChem CID 114586318) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-cyclopropyl-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one
PubChem CID114586318
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name2-cyclopropyl-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one
SMILESO=c1cc(OC2CCNC2)nc(C2CC2)[nH]1
InChIInChI=1S/C11H15N3O2/c15-9-5-10(16-8-3-4-12-6-8)14-11(13-9)7-1-2-7/h5,7-8,12H,1-4,6H2,(H,13,14,15)
InChIKeyOBHKKKAYNCINAD-UHFFFAOYSA-N
XLogP0.39
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one (CID 114586318) is 2-cyclopropyl-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one is O=c1cc(OC2CCNC2)nc(C2CC2)[nH]1.
What is the InChIKey of 2-cyclopropyl-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one?
The InChIKey is OBHKKKAYNCINAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c15-9-5-10(16-8-3-4-12-6-8)14-11(13-9)7-1-2-7/h5,7-8,12H,1-4,6H2,(H,13,14,15).
What are the key properties of 2-cyclopropyl-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one?
2-cyclopropyl-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one has a molecular weight of 221.26 g/mol, XLogP of 0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one is sourced from PubChem (CID 114586318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).