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

C9H14N4O2 — CID 114586540

IUPAC5-amino-4-[3-(aminomethyl)cyclobutyl]oxy-1H-pyrimidin-6-one
SMILESNCC1CC(Oc2nc[nH]c(=O)c2N)C1
InChIInChI=1S/C9H14N4O2/c10-3-5-1-6(2-5)15-9-7(11)8(14)12-4-13-9/h4-6H,1-3,10-11H2,(H,12,13,14)
InChIKeyVSPYVKXJBMCWBY-UHFFFAOYSA-N
MW210.24 g/mol
LogP-0.53
Rot. Bonds3

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

5-amino-4-[3-(aminomethyl)cyclobutyl]oxy-1H-pyrimidin-6-one (PubChem CID 114586540) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 5-amino-4-[3-(aminomethyl)cyclobutyl]oxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[3-(aminomethyl)cyclobutyl]oxy-1H-pyrimidin-6-one
PubChem CID114586540
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name5-amino-4-[3-(aminomethyl)cyclobutyl]oxy-1H-pyrimidin-6-one
SMILESNCC1CC(Oc2nc[nH]c(=O)c2N)C1
InChIInChI=1S/C9H14N4O2/c10-3-5-1-6(2-5)15-9-7(11)8(14)12-4-13-9/h4-6H,1-3,10-11H2,(H,12,13,14)
InChIKeyVSPYVKXJBMCWBY-UHFFFAOYSA-N
XLogP-0.53
TPSA107.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-0.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-4-(piperidin-4-ylmethoxy)-1H-pyrimidin-6-one
CID 114586350
4-[3-(aminomethyl)cyclobutyl]oxy-5-chloro-1H-pyrimidin-6-one
CID 114586534
4-[3-(aminomethyl)cyclobutyl]oxy-1H-pyrimidin-6-one
CID 114586535
4-[3-(aminomethyl)cyclobutyl]oxy-5-bromo-1H-pyrimidin-6-one
CID 114586539
4-[3-(aminomethyl)cyclobutyl]oxy-5-iodo-1H-pyrimidin-6-one
CID 114586542
5-amino-4-(3-aminocyclobutyl)oxy-1H-pyrimidin-6-one
CID 114586550
4-[3-(methylaminomethyl)cyclobutyl]oxy-1H-pyrimidin-6-one
CID 114586554
5-amino-4-[3-(methylaminomethyl)cyclobutyl]oxy-1H-pyrimidin-6-one
CID 114586559
5-iodo-4-[3-(methylaminomethyl)cyclobutyl]oxy-1H-pyrimidin-6-one
CID 114586561
5-amino-4-(3-aminocyclopentyl)oxy-1H-pyrimidin-6-one
CID 114586568
5-Amino-6-cyclobutoxypyrimidin-4(3H)-one
CID 119054238
5-amino-4-[(3-hydroxycyclobutyl)methylamino]-1H-pyrimidin-6-one
CID 136976225

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[3-(aminomethyl)cyclobutyl]oxy-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[3-(aminomethyl)cyclobutyl]oxy-1H-pyrimidin-6-one (CID 114586540) is 5-amino-4-[3-(aminomethyl)cyclobutyl]oxy-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[3-(aminomethyl)cyclobutyl]oxy-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[3-(aminomethyl)cyclobutyl]oxy-1H-pyrimidin-6-one is NCC1CC(Oc2nc[nH]c(=O)c2N)C1.
What is the InChIKey of 5-amino-4-[3-(aminomethyl)cyclobutyl]oxy-1H-pyrimidin-6-one?
The InChIKey is VSPYVKXJBMCWBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c10-3-5-1-6(2-5)15-9-7(11)8(14)12-4-13-9/h4-6H,1-3,10-11H2,(H,12,13,14).
What are the key properties of 5-amino-4-[3-(aminomethyl)cyclobutyl]oxy-1H-pyrimidin-6-one?
5-amino-4-[3-(aminomethyl)cyclobutyl]oxy-1H-pyrimidin-6-one has a molecular weight of 210.24 g/mol, XLogP of -0.53, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[3-(aminomethyl)cyclobutyl]oxy-1H-pyrimidin-6-one is sourced from PubChem (CID 114586540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).