4-[2-(2-aminoethyl)imidazol-1-yl]-5-bromo-1H-pyrimidin-6-one

C9H10BrN5O — CID 137007767

IUPAC4-[2-(2-aminoethyl)imidazol-1-yl]-5-bromo-1H-pyrimidin-6-one
SMILESNCCc1nccn1-c1nc[nH]c(=O)c1Br
InChIInChI=1S/C9H10BrN5O/c10-7-8(13-5-14-9(7)16)15-4-3-12-6(15)1-2-11/h3-5H,1-2,11H2,(H,13,14,16)
InChIKeySCAXFGVNSCOGFL-UHFFFAOYSA-N
MW284.12 g/mol
LogP0.22
Rot. Bonds3

About 4-[2-(2-aminoethyl)imidazol-1-yl]-5-bromo-1H-pyrimidin-6-one

4-[2-(2-aminoethyl)imidazol-1-yl]-5-bromo-1H-pyrimidin-6-one (PubChem CID 137007767) has the molecular formula C9H10BrN5O and a molecular weight of 284.12 g/mol. Its IUPAC name is 4-[2-(2-aminoethyl)imidazol-1-yl]-5-bromo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-(2-aminoethyl)imidazol-1-yl]-5-bromo-1H-pyrimidin-6-one
PubChem CID137007767
Molecular FormulaC9H10BrN5O
Molecular Weight284.12 g/mol
Exact Mass283.01
IUPAC Name4-[2-(2-aminoethyl)imidazol-1-yl]-5-bromo-1H-pyrimidin-6-one
SMILESNCCc1nccn1-c1nc[nH]c(=O)c1Br
InChIInChI=1S/C9H10BrN5O/c10-7-8(13-5-14-9(7)16)15-4-3-12-6(15)1-2-11/h3-5H,1-2,11H2,(H,13,14,16)
InChIKeySCAXFGVNSCOGFL-UHFFFAOYSA-N
XLogP0.22
TPSA89.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.12
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-aminoethyl)imidazol-1-yl]-5-bromo-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-(2-aminoethyl)imidazol-1-yl]-5-bromo-1H-pyrimidin-6-one (CID 137007767) is 4-[2-(2-aminoethyl)imidazol-1-yl]-5-bromo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-(2-aminoethyl)imidazol-1-yl]-5-bromo-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-(2-aminoethyl)imidazol-1-yl]-5-bromo-1H-pyrimidin-6-one is NCCc1nccn1-c1nc[nH]c(=O)c1Br.
What is the InChIKey of 4-[2-(2-aminoethyl)imidazol-1-yl]-5-bromo-1H-pyrimidin-6-one?
The InChIKey is SCAXFGVNSCOGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN5O/c10-7-8(13-5-14-9(7)16)15-4-3-12-6(15)1-2-11/h3-5H,1-2,11H2,(H,13,14,16).
What are the key properties of 4-[2-(2-aminoethyl)imidazol-1-yl]-5-bromo-1H-pyrimidin-6-one?
4-[2-(2-aminoethyl)imidazol-1-yl]-5-bromo-1H-pyrimidin-6-one has a molecular weight of 284.12 g/mol, XLogP of 0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-aminoethyl)imidazol-1-yl]-5-bromo-1H-pyrimidin-6-one is sourced from PubChem (CID 137007767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).