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

C10H16BrN3O2 — CID 114586481

IUPAC4-(2-amino-2-ethylbutoxy)-5-bromo-1H-pyrimidin-6-one
SMILESCCC(N)(CC)COc1nc[nH]c(=O)c1Br
InChIInChI=1S/C10H16BrN3O2/c1-3-10(12,4-2)5-16-9-7(11)8(15)13-6-14-9/h6H,3-5,12H2,1-2H3,(H,13,14,15)
InChIKeyCGTGVJAGGRCPAK-UHFFFAOYSA-N
MW290.16 g/mol
LogP1.43
Rot. Bonds5

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

4-(2-amino-2-ethylbutoxy)-5-bromo-1H-pyrimidin-6-one (PubChem CID 114586481) has the molecular formula C10H16BrN3O2 and a molecular weight of 290.16 g/mol. Its IUPAC name is 4-(2-amino-2-ethylbutoxy)-5-bromo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-amino-2-ethylbutoxy)-5-bromo-1H-pyrimidin-6-one
PubChem CID114586481
Molecular FormulaC10H16BrN3O2
Molecular Weight290.16 g/mol
Exact Mass289.04
IUPAC Name4-(2-amino-2-ethylbutoxy)-5-bromo-1H-pyrimidin-6-one
SMILESCCC(N)(CC)COc1nc[nH]c(=O)c1Br
InChIInChI=1S/C10H16BrN3O2/c1-3-10(12,4-2)5-16-9-7(11)8(15)13-6-14-9/h6H,3-5,12H2,1-2H3,(H,13,14,15)
InChIKeyCGTGVJAGGRCPAK-UHFFFAOYSA-N
XLogP1.43
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.16
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-ethylbutoxy)-5-bromo-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-amino-2-ethylbutoxy)-5-bromo-1H-pyrimidin-6-one (CID 114586481) is 4-(2-amino-2-ethylbutoxy)-5-bromo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-amino-2-ethylbutoxy)-5-bromo-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-amino-2-ethylbutoxy)-5-bromo-1H-pyrimidin-6-one is CCC(N)(CC)COc1nc[nH]c(=O)c1Br.
What is the InChIKey of 4-(2-amino-2-ethylbutoxy)-5-bromo-1H-pyrimidin-6-one?
The InChIKey is CGTGVJAGGRCPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3O2/c1-3-10(12,4-2)5-16-9-7(11)8(15)13-6-14-9/h6H,3-5,12H2,1-2H3,(H,13,14,15).
What are the key properties of 4-(2-amino-2-ethylbutoxy)-5-bromo-1H-pyrimidin-6-one?
4-(2-amino-2-ethylbutoxy)-5-bromo-1H-pyrimidin-6-one has a molecular weight of 290.16 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-ethylbutoxy)-5-bromo-1H-pyrimidin-6-one is sourced from PubChem (CID 114586481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).