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

C10H15N3O2 — CID 114586366

IUPAC4-(3-aminopropoxy)-2-cyclopropyl-1H-pyrimidin-6-one
SMILESNCCCOc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C10H15N3O2/c11-4-1-5-15-9-6-8(14)12-10(13-9)7-2-3-7/h6-7H,1-5,11H2,(H,12,13,14)
InChIKeyMAKZBSAIXSMEMZ-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.37
Rot. Bonds5

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

4-(3-aminopropoxy)-2-cyclopropyl-1H-pyrimidin-6-one (PubChem CID 114586366) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 4-(3-aminopropoxy)-2-cyclopropyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3-aminopropoxy)-2-cyclopropyl-1H-pyrimidin-6-one
PubChem CID114586366
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name4-(3-aminopropoxy)-2-cyclopropyl-1H-pyrimidin-6-one
SMILESNCCCOc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C10H15N3O2/c11-4-1-5-15-9-6-8(14)12-10(13-9)7-2-3-7/h6-7H,1-5,11H2,(H,12,13,14)
InChIKeyMAKZBSAIXSMEMZ-UHFFFAOYSA-N
XLogP0.37
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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
4-Hydroxy-2-cyclopropyl-6-(tert-butoxy)pyrimidine
CID 20340377
2-cyclopropyl-4-propoxy-1H-pyrimidin-6-one
CID 12945288
4-Hydroxy-2-cyclopropyl-6-(iso-propoxy)pyrimidine
CID 12945289
6-Propoxy-2-propylpyrimidin-4(1H)-one
CID 45117371

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopropoxy)-2-cyclopropyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(3-aminopropoxy)-2-cyclopropyl-1H-pyrimidin-6-one (CID 114586366) is 4-(3-aminopropoxy)-2-cyclopropyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3-aminopropoxy)-2-cyclopropyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3-aminopropoxy)-2-cyclopropyl-1H-pyrimidin-6-one is NCCCOc1cc(=O)[nH]c(C2CC2)n1.
What is the InChIKey of 4-(3-aminopropoxy)-2-cyclopropyl-1H-pyrimidin-6-one?
The InChIKey is MAKZBSAIXSMEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c11-4-1-5-15-9-6-8(14)12-10(13-9)7-2-3-7/h6-7H,1-5,11H2,(H,12,13,14).
What are the key properties of 4-(3-aminopropoxy)-2-cyclopropyl-1H-pyrimidin-6-one?
4-(3-aminopropoxy)-2-cyclopropyl-1H-pyrimidin-6-one has a molecular weight of 209.25 g/mol, XLogP of 0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopropoxy)-2-cyclopropyl-1H-pyrimidin-6-one is sourced from PubChem (CID 114586366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).