5-amino-4-[(3-ethoxycyclobutyl)amino]-1H-pyrimidin-6-one

C10H16N4O2 — CID 136696626

IUPAC5-amino-4-[(3-ethoxycyclobutyl)amino]-1H-pyrimidin-6-one
SMILESCCOC1CC(Nc2nc[nH]c(=O)c2N)C1
InChIInChI=1S/C10H16N4O2/c1-2-16-7-3-6(4-7)14-9-8(11)10(15)13-5-12-9/h5-7H,2-4,11H2,1H3,(H2,12,13,14,15)
InChIKeyODIIYBIJZICUKW-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.33
Rot. Bonds4

About 5-amino-4-[(3-ethoxycyclobutyl)amino]-1H-pyrimidin-6-one

5-amino-4-[(3-ethoxycyclobutyl)amino]-1H-pyrimidin-6-one (PubChem CID 136696626) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 5-amino-4-[(3-ethoxycyclobutyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[(3-ethoxycyclobutyl)amino]-1H-pyrimidin-6-one
PubChem CID136696626
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name5-amino-4-[(3-ethoxycyclobutyl)amino]-1H-pyrimidin-6-one
SMILESCCOC1CC(Nc2nc[nH]c(=O)c2N)C1
InChIInChI=1S/C10H16N4O2/c1-2-16-7-3-6(4-7)14-9-8(11)10(15)13-5-12-9/h5-7H,2-4,11H2,1H3,(H2,12,13,14,15)
InChIKeyODIIYBIJZICUKW-UHFFFAOYSA-N
XLogP0.33
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-4-(3-aminocyclobutyl)oxy-1H-pyrimidin-6-one
CID 114586550
5-amino-4-(3-methoxypropylamino)-1H-pyrimidin-6-one
CID 135568311
5-amino-4-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-1H-pyrimidin-6-one
CID 136696609
5-amino-4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-1H-pyrimidin-6-one
CID 136696616
5-chloro-4-[(3-ethoxycyclobutyl)amino]-1H-pyrimidin-6-one
CID 136696627
4-[(3-ethoxycyclobutyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136696629
4-[(3-ethoxycyclobutyl)amino]-1H-pyrimidin-6-one
CID 136696631
5-bromo-4-[(3-ethoxycyclobutyl)amino]-1H-pyrimidin-6-one
CID 136696632
5-amino-4-[(3-methoxycyclobutyl)amino]-1H-pyrimidin-6-one
CID 136696636
5-iodo-4-[(3-methoxycyclobutyl)amino]-1H-pyrimidin-6-one
CID 136696638
4-[(3-methoxycyclobutyl)amino]-1H-pyrimidin-6-one
CID 136696640
5-amino-4-[3-(2-aminoethoxy)propylamino]-1H-pyrimidin-6-one
CID 136730542

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[(3-ethoxycyclobutyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[(3-ethoxycyclobutyl)amino]-1H-pyrimidin-6-one (CID 136696626) is 5-amino-4-[(3-ethoxycyclobutyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[(3-ethoxycyclobutyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[(3-ethoxycyclobutyl)amino]-1H-pyrimidin-6-one is CCOC1CC(Nc2nc[nH]c(=O)c2N)C1.
What is the InChIKey of 5-amino-4-[(3-ethoxycyclobutyl)amino]-1H-pyrimidin-6-one?
The InChIKey is ODIIYBIJZICUKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-2-16-7-3-6(4-7)14-9-8(11)10(15)13-5-12-9/h5-7H,2-4,11H2,1H3,(H2,12,13,14,15).
What are the key properties of 5-amino-4-[(3-ethoxycyclobutyl)amino]-1H-pyrimidin-6-one?
5-amino-4-[(3-ethoxycyclobutyl)amino]-1H-pyrimidin-6-one has a molecular weight of 224.26 g/mol, XLogP of 0.33, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[(3-ethoxycyclobutyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136696626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).