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

C13H19N3O2 — CID 114796546

IUPAC2-cyclopropyl-4-(2-pyrrolidin-3-ylethoxy)-1H-pyrimidin-6-one
SMILESO=c1cc(OCCC2CCNC2)nc(C2CC2)[nH]1
InChIInChI=1S/C13H19N3O2/c17-11-7-12(16-13(15-11)10-1-2-10)18-6-4-9-3-5-14-8-9/h7,9-10,14H,1-6,8H2,(H,15,16,17)
InChIKeyILBPPZMIRNJYFB-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.03
Rot. Bonds5

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

2-cyclopropyl-4-(2-pyrrolidin-3-ylethoxy)-1H-pyrimidin-6-one (PubChem CID 114796546) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-cyclopropyl-4-(2-pyrrolidin-3-ylethoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-(2-pyrrolidin-3-ylethoxy)-1H-pyrimidin-6-one
PubChem CID114796546
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-cyclopropyl-4-(2-pyrrolidin-3-ylethoxy)-1H-pyrimidin-6-one
SMILESO=c1cc(OCCC2CCNC2)nc(C2CC2)[nH]1
InChIInChI=1S/C13H19N3O2/c17-11-7-12(16-13(15-11)10-1-2-10)18-6-4-9-3-5-14-8-9/h7,9-10,14H,1-6,8H2,(H,15,16,17)
InChIKeyILBPPZMIRNJYFB-UHFFFAOYSA-N
XLogP1.03
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-2-(pyrrolidin-3-ylmethyl)-1H-pyrimidin-6-one
CID 105462840
2-cyclopropyl-4-(pyrrolidin-2-ylmethoxy)-1H-pyrimidin-6-one
CID 113604862
4-(piperidin-4-ylmethoxy)-2-propan-2-yl-1H-pyrimidin-6-one
CID 113604864
2-cyclopropyl-4-(pyrrolidin-3-ylmethoxy)-1H-pyrimidin-6-one
CID 113604873
4-[3-(aminomethyl)cyclobutyl]oxy-2-cyclopropyl-1H-pyrimidin-6-one
CID 113604895
2-cyclopropyl-4-[3-(methylaminomethyl)cyclobutyl]oxy-1H-pyrimidin-6-one
CID 113604896
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
2-propan-2-yl-4-(pyrrolidin-2-ylmethoxy)-1H-pyrimidin-6-one
CID 114586290
2-ethyl-4-(piperidin-4-ylmethoxy)-1H-pyrimidin-6-one
CID 114586346
2-cyclopropyl-4-(piperidin-4-ylmethoxy)-1H-pyrimidin-6-one
CID 114586347
2-cyclopropyl-4-(piperidin-3-ylmethoxy)-1H-pyrimidin-6-one
CID 114586410

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-(2-pyrrolidin-3-ylethoxy)-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-(2-pyrrolidin-3-ylethoxy)-1H-pyrimidin-6-one (CID 114796546) is 2-cyclopropyl-4-(2-pyrrolidin-3-ylethoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-(2-pyrrolidin-3-ylethoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-(2-pyrrolidin-3-ylethoxy)-1H-pyrimidin-6-one is O=c1cc(OCCC2CCNC2)nc(C2CC2)[nH]1.
What is the InChIKey of 2-cyclopropyl-4-(2-pyrrolidin-3-ylethoxy)-1H-pyrimidin-6-one?
The InChIKey is ILBPPZMIRNJYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c17-11-7-12(16-13(15-11)10-1-2-10)18-6-4-9-3-5-14-8-9/h7,9-10,14H,1-6,8H2,(H,15,16,17).
What are the key properties of 2-cyclopropyl-4-(2-pyrrolidin-3-ylethoxy)-1H-pyrimidin-6-one?
2-cyclopropyl-4-(2-pyrrolidin-3-ylethoxy)-1H-pyrimidin-6-one has a molecular weight of 249.31 g/mol, XLogP of 1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(2-pyrrolidin-3-ylethoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 114796546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).