4-(2-aminoethoxy)-2-cyclopropyl-1H-pyrimidin-6-one

C9H13N3O2 — CID 114586356

IUPAC4-(2-aminoethoxy)-2-cyclopropyl-1H-pyrimidin-6-one
SMILESNCCOc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C9H13N3O2/c10-3-4-14-8-5-7(13)11-9(12-8)6-1-2-6/h5-6H,1-4,10H2,(H,11,12,13)
InChIKeyJKAJLUWDVWFMCQ-UHFFFAOYSA-N
MW195.22 g/mol
LogP-0.02
Rot. Bonds4

About 4-(2-aminoethoxy)-2-cyclopropyl-1H-pyrimidin-6-one

4-(2-aminoethoxy)-2-cyclopropyl-1H-pyrimidin-6-one (PubChem CID 114586356) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 4-(2-aminoethoxy)-2-cyclopropyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-aminoethoxy)-2-cyclopropyl-1H-pyrimidin-6-one
PubChem CID114586356
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name4-(2-aminoethoxy)-2-cyclopropyl-1H-pyrimidin-6-one
SMILESNCCOc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C9H13N3O2/c10-3-4-14-8-5-7(13)11-9(12-8)6-1-2-6/h5-6H,1-4,10H2,(H,11,12,13)
InChIKeyJKAJLUWDVWFMCQ-UHFFFAOYSA-N
XLogP-0.02
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-4-(2,2,3,3-tetrafluoropropoxy)-1H-pyrimidin-6-one
CID 103240401
2-cyclopropyl-4-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one
CID 103240545
2-cyclopropyl-4-(2,2,3,3,3-pentafluoropropoxy)-1H-pyrimidin-6-one
CID 103241786
2-cyclopropyl-4-(2,2-difluoroethoxy)-1H-pyrimidin-6-one
CID 103241902
2-cyclopropyl-4-(4,4,4-trifluorobutoxy)-1H-pyrimidin-6-one
CID 113792801
2-cyclopropyl-4-(3,3,3-trifluoropropoxy)-1H-pyrimidin-6-one
CID 113792804
2-Cyclopropyl-6-methoxypyrimidin-4(1H)-one
CID 12945281
2-Cyclopropyl-6-ethoxypyrimidin-4(1H)-one
CID 12945284
2-cyclopropyl-4-propoxy-1H-pyrimidin-6-one
CID 12945288
4-Hydroxy-2-cyclopropyl-6-(iso-propoxy)pyrimidine
CID 12945289
2-Isopropyl-6-propoxypyrimidin-4(1H)-one
CID 45117379
2-[1-(aminomethyl)cyclopropyl]-4-methoxy-1H-pyrimidin-6-one
CID 84062312

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethoxy)-2-cyclopropyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-aminoethoxy)-2-cyclopropyl-1H-pyrimidin-6-one (CID 114586356) is 4-(2-aminoethoxy)-2-cyclopropyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-aminoethoxy)-2-cyclopropyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-aminoethoxy)-2-cyclopropyl-1H-pyrimidin-6-one is NCCOc1cc(=O)[nH]c(C2CC2)n1.
What is the InChIKey of 4-(2-aminoethoxy)-2-cyclopropyl-1H-pyrimidin-6-one?
The InChIKey is JKAJLUWDVWFMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c10-3-4-14-8-5-7(13)11-9(12-8)6-1-2-6/h5-6H,1-4,10H2,(H,11,12,13).
What are the key properties of 4-(2-aminoethoxy)-2-cyclopropyl-1H-pyrimidin-6-one?
4-(2-aminoethoxy)-2-cyclopropyl-1H-pyrimidin-6-one has a molecular weight of 195.22 g/mol, XLogP of -0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethoxy)-2-cyclopropyl-1H-pyrimidin-6-one is sourced from PubChem (CID 114586356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).