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

C6H8BrN3O2 — CID 136956026

IUPAC5-bromo-4-(2-hydroxyethylamino)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(NCCO)c1Br
InChIInChI=1S/C6H8BrN3O2/c7-4-5(8-1-2-11)9-3-10-6(4)12/h3,11H,1-2H2,(H2,8,9,10,12)
InChIKeyPCTCBDFREHDWKN-UHFFFAOYSA-N
MW234.05 g/mol
LogP-0.06
Rot. Bonds3

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

5-bromo-4-(2-hydroxyethylamino)-1H-pyrimidin-6-one (PubChem CID 136956026) has the molecular formula C6H8BrN3O2 and a molecular weight of 234.05 g/mol. Its IUPAC name is 5-bromo-4-(2-hydroxyethylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-(2-hydroxyethylamino)-1H-pyrimidin-6-one
PubChem CID136956026
Molecular FormulaC6H8BrN3O2
Molecular Weight234.05 g/mol
Exact Mass232.98
IUPAC Name5-bromo-4-(2-hydroxyethylamino)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(NCCO)c1Br
InChIInChI=1S/C6H8BrN3O2/c7-4-5(8-1-2-11)9-3-10-6(4)12/h3,11H,1-2H2,(H2,8,9,10,12)
InChIKeyPCTCBDFREHDWKN-UHFFFAOYSA-N
XLogP-0.06
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.05
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(2-hydroxyethylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-(2-hydroxyethylamino)-1H-pyrimidin-6-one (CID 136956026) is 5-bromo-4-(2-hydroxyethylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-(2-hydroxyethylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-(2-hydroxyethylamino)-1H-pyrimidin-6-one is O=c1[nH]cnc(NCCO)c1Br.
What is the InChIKey of 5-bromo-4-(2-hydroxyethylamino)-1H-pyrimidin-6-one?
The InChIKey is PCTCBDFREHDWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrN3O2/c7-4-5(8-1-2-11)9-3-10-6(4)12/h3,11H,1-2H2,(H2,8,9,10,12).
What are the key properties of 5-bromo-4-(2-hydroxyethylamino)-1H-pyrimidin-6-one?
5-bromo-4-(2-hydroxyethylamino)-1H-pyrimidin-6-one has a molecular weight of 234.05 g/mol, XLogP of -0.06, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(2-hydroxyethylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136956026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).