4-[3-(aminomethyl)cyclobutyl]oxy-5-methoxy-1H-pyrimidin-6-one

C10H15N3O3 — CID 114586538

IUPAC4-[3-(aminomethyl)cyclobutyl]oxy-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(OC2CC(CN)C2)nc[nH]c1=O
InChIInChI=1S/C10H15N3O3/c1-15-8-9(14)12-5-13-10(8)16-7-2-6(3-7)4-11/h5-7H,2-4,11H2,1H3,(H,12,13,14)
InChIKeyNIYXMABTFRSAGB-UHFFFAOYSA-N
MW225.25 g/mol
LogP-0.11
Rot. Bonds4

About 4-[3-(aminomethyl)cyclobutyl]oxy-5-methoxy-1H-pyrimidin-6-one

4-[3-(aminomethyl)cyclobutyl]oxy-5-methoxy-1H-pyrimidin-6-one (PubChem CID 114586538) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 4-[3-(aminomethyl)cyclobutyl]oxy-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[3-(aminomethyl)cyclobutyl]oxy-5-methoxy-1H-pyrimidin-6-one
PubChem CID114586538
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name4-[3-(aminomethyl)cyclobutyl]oxy-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(OC2CC(CN)C2)nc[nH]c1=O
InChIInChI=1S/C10H15N3O3/c1-15-8-9(14)12-5-13-10(8)16-7-2-6(3-7)4-11/h5-7H,2-4,11H2,1H3,(H,12,13,14)
InChIKeyNIYXMABTFRSAGB-UHFFFAOYSA-N
XLogP-0.11
TPSA90.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(aminomethyl)cyclobutyl]oxy-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-[3-(aminomethyl)cyclobutyl]oxy-5-methoxy-1H-pyrimidin-6-one (CID 114586538) is 4-[3-(aminomethyl)cyclobutyl]oxy-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[3-(aminomethyl)cyclobutyl]oxy-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-[3-(aminomethyl)cyclobutyl]oxy-5-methoxy-1H-pyrimidin-6-one is COc1c(OC2CC(CN)C2)nc[nH]c1=O.
What is the InChIKey of 4-[3-(aminomethyl)cyclobutyl]oxy-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is NIYXMABTFRSAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-15-8-9(14)12-5-13-10(8)16-7-2-6(3-7)4-11/h5-7H,2-4,11H2,1H3,(H,12,13,14).
What are the key properties of 4-[3-(aminomethyl)cyclobutyl]oxy-5-methoxy-1H-pyrimidin-6-one?
4-[3-(aminomethyl)cyclobutyl]oxy-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 225.25 g/mol, XLogP of -0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(aminomethyl)cyclobutyl]oxy-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 114586538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).