4-(3-aminocyclopentyl)oxy-2-cyclopropyl-1H-pyrimidin-6-one

C12H17N3O2 — CID 114586565

IUPAC4-(3-aminocyclopentyl)oxy-2-cyclopropyl-1H-pyrimidin-6-one
SMILESNC1CCC(Oc2cc(=O)[nH]c(C3CC3)n2)C1
InChIInChI=1S/C12H17N3O2/c13-8-3-4-9(5-8)17-11-6-10(16)14-12(15-11)7-1-2-7/h6-9H,1-5,13H2,(H,14,15,16)
InChIKeyFOJOTHGELVOKJA-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.91
Rot. Bonds3

About 4-(3-aminocyclopentyl)oxy-2-cyclopropyl-1H-pyrimidin-6-one

4-(3-aminocyclopentyl)oxy-2-cyclopropyl-1H-pyrimidin-6-one (PubChem CID 114586565) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 4-(3-aminocyclopentyl)oxy-2-cyclopropyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3-aminocyclopentyl)oxy-2-cyclopropyl-1H-pyrimidin-6-one
PubChem CID114586565
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name4-(3-aminocyclopentyl)oxy-2-cyclopropyl-1H-pyrimidin-6-one
SMILESNC1CCC(Oc2cc(=O)[nH]c(C3CC3)n2)C1
InChIInChI=1S/C12H17N3O2/c13-8-3-4-9(5-8)17-11-6-10(16)14-12(15-11)7-1-2-7/h6-9H,1-5,13H2,(H,14,15,16)
InChIKeyFOJOTHGELVOKJA-UHFFFAOYSA-N
XLogP0.91
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-aminocyclopentyl)oxy-2-cyclopropyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(3-aminocyclopentyl)oxy-2-cyclopropyl-1H-pyrimidin-6-one (CID 114586565) is 4-(3-aminocyclopentyl)oxy-2-cyclopropyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3-aminocyclopentyl)oxy-2-cyclopropyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3-aminocyclopentyl)oxy-2-cyclopropyl-1H-pyrimidin-6-one is NC1CCC(Oc2cc(=O)[nH]c(C3CC3)n2)C1.
What is the InChIKey of 4-(3-aminocyclopentyl)oxy-2-cyclopropyl-1H-pyrimidin-6-one?
The InChIKey is FOJOTHGELVOKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c13-8-3-4-9(5-8)17-11-6-10(16)14-12(15-11)7-1-2-7/h6-9H,1-5,13H2,(H,14,15,16).
What are the key properties of 4-(3-aminocyclopentyl)oxy-2-cyclopropyl-1H-pyrimidin-6-one?
4-(3-aminocyclopentyl)oxy-2-cyclopropyl-1H-pyrimidin-6-one has a molecular weight of 235.29 g/mol, XLogP of 0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminocyclopentyl)oxy-2-cyclopropyl-1H-pyrimidin-6-one is sourced from PubChem (CID 114586565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).