4-(3-aminocyclobutyl)oxy-1H-pyrimidin-6-one

C8H11N3O2 — CID 114586544

IUPAC4-(3-aminocyclobutyl)oxy-1H-pyrimidin-6-one
SMILESNC1CC(Oc2cc(=O)[nH]cn2)C1
InChIInChI=1S/C8H11N3O2/c9-5-1-6(2-5)13-8-3-7(12)10-4-11-8/h3-6H,1-2,9H2,(H,10,11,12)
InChIKeyMXFUTJJAYUXLJY-UHFFFAOYSA-N
MW181.19 g/mol
LogP-0.36
Rot. Bonds2

About 4-(3-aminocyclobutyl)oxy-1H-pyrimidin-6-one

4-(3-aminocyclobutyl)oxy-1H-pyrimidin-6-one (PubChem CID 114586544) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 4-(3-aminocyclobutyl)oxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3-aminocyclobutyl)oxy-1H-pyrimidin-6-one
PubChem CID114586544
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name4-(3-aminocyclobutyl)oxy-1H-pyrimidin-6-one
SMILESNC1CC(Oc2cc(=O)[nH]cn2)C1
InChIInChI=1S/C8H11N3O2/c9-5-1-6(2-5)13-8-3-7(12)10-4-11-8/h3-6H,1-2,9H2,(H,10,11,12)
InChIKeyMXFUTJJAYUXLJY-UHFFFAOYSA-N
XLogP-0.36
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-butan-2-yloxy-1H-pyrimidin-6-one
CID 103240861
4-pentan-2-yloxy-1H-pyrimidin-6-one
CID 103242105
4-(3-aminopropoxy)-1H-pyrimidin-6-one
CID 114586364
4-[3-(propan-2-ylamino)propoxy]-1H-pyrimidin-6-one
CID 114586390
4-[3-(aminomethyl)cyclobutyl]oxy-1H-pyrimidin-6-one
CID 114586535
4-(3-aminocyclobutyl)oxy-5-chloro-1H-pyrimidin-6-one
CID 114586543
4-(3-aminocyclobutyl)oxy-5-methoxy-1H-pyrimidin-6-one
CID 114586548
4-(3-aminocyclobutyl)oxy-5-bromo-1H-pyrimidin-6-one
CID 114586549
5-amino-4-(3-aminocyclobutyl)oxy-1H-pyrimidin-6-one
CID 114586550
4-(3-aminocyclobutyl)oxy-2-methyl-1H-pyrimidin-6-one
CID 114586551
4-(3-aminocyclobutyl)oxy-5-iodo-1H-pyrimidin-6-one
CID 114586552
4-(3-aminocyclopentyl)oxy-1H-pyrimidin-6-one
CID 114586563

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminocyclobutyl)oxy-1H-pyrimidin-6-one?
The IUPAC name of 4-(3-aminocyclobutyl)oxy-1H-pyrimidin-6-one (CID 114586544) is 4-(3-aminocyclobutyl)oxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3-aminocyclobutyl)oxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3-aminocyclobutyl)oxy-1H-pyrimidin-6-one is NC1CC(Oc2cc(=O)[nH]cn2)C1.
What is the InChIKey of 4-(3-aminocyclobutyl)oxy-1H-pyrimidin-6-one?
The InChIKey is MXFUTJJAYUXLJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c9-5-1-6(2-5)13-8-3-7(12)10-4-11-8/h3-6H,1-2,9H2,(H,10,11,12).
What are the key properties of 4-(3-aminocyclobutyl)oxy-1H-pyrimidin-6-one?
4-(3-aminocyclobutyl)oxy-1H-pyrimidin-6-one has a molecular weight of 181.19 g/mol, XLogP of -0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminocyclobutyl)oxy-1H-pyrimidin-6-one is sourced from PubChem (CID 114586544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).