5-amino-4-(2-cyclobutylethoxy)-1H-pyrimidin-6-one

C10H15N3O2 — CID 106207972

IUPAC5-amino-4-(2-cyclobutylethoxy)-1H-pyrimidin-6-one
SMILESNc1c(OCCC2CCC2)nc[nH]c1=O
InChIInChI=1S/C10H15N3O2/c11-8-9(14)12-6-13-10(8)15-5-4-7-2-1-3-7/h6-7H,1-5,11H2,(H,12,13,14)
InChIKeyMZQQEOOBXDSZBZ-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.92
Rot. Bonds4

About 5-amino-4-(2-cyclobutylethoxy)-1H-pyrimidin-6-one

5-amino-4-(2-cyclobutylethoxy)-1H-pyrimidin-6-one (PubChem CID 106207972) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 5-amino-4-(2-cyclobutylethoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-(2-cyclobutylethoxy)-1H-pyrimidin-6-one
PubChem CID106207972
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name5-amino-4-(2-cyclobutylethoxy)-1H-pyrimidin-6-one
SMILESNc1c(OCCC2CCC2)nc[nH]c1=O
InChIInChI=1S/C10H15N3O2/c11-8-9(14)12-6-13-10(8)15-5-4-7-2-1-3-7/h6-7H,1-5,11H2,(H,12,13,14)
InChIKeyMZQQEOOBXDSZBZ-UHFFFAOYSA-N
XLogP0.92
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-4-cyclohexyloxy-1H-pyrimidin-6-one
CID 19152719
5-amino-4-heptoxy-1H-pyrimidin-6-one
CID 103240420
5-amino-4-(2-ethylhexoxy)-1H-pyrimidin-6-one
CID 103240460
5-amino-4-(4-methylpentoxy)-1H-pyrimidin-6-one
CID 103240470
5-amino-4-hexoxy-1H-pyrimidin-6-one
CID 103240490
5-amino-4-(3-methylbutoxy)-1H-pyrimidin-6-one
CID 103240605
5-amino-4-(4-methylcyclohexyl)oxy-1H-pyrimidin-6-one
CID 103240629
5-amino-4-(2-methylpropoxy)-1H-pyrimidin-6-one
CID 103240671
5-amino-4-(cyclopropylmethoxy)-1H-pyrimidin-6-one
CID 103240767
5-amino-4-pentoxy-1H-pyrimidin-6-one
CID 103240842
5-amino-4-(cyclohexylmethoxy)-1H-pyrimidin-6-one
CID 103241604
5-amino-4-(oxan-4-ylmethoxy)-1H-pyrimidin-6-one
CID 103241613

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(2-cyclobutylethoxy)-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-(2-cyclobutylethoxy)-1H-pyrimidin-6-one (CID 106207972) is 5-amino-4-(2-cyclobutylethoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-(2-cyclobutylethoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-(2-cyclobutylethoxy)-1H-pyrimidin-6-one is Nc1c(OCCC2CCC2)nc[nH]c1=O.
What is the InChIKey of 5-amino-4-(2-cyclobutylethoxy)-1H-pyrimidin-6-one?
The InChIKey is MZQQEOOBXDSZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c11-8-9(14)12-6-13-10(8)15-5-4-7-2-1-3-7/h6-7H,1-5,11H2,(H,12,13,14).
What are the key properties of 5-amino-4-(2-cyclobutylethoxy)-1H-pyrimidin-6-one?
5-amino-4-(2-cyclobutylethoxy)-1H-pyrimidin-6-one has a molecular weight of 209.25 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(2-cyclobutylethoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 106207972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).