6-amino-5-bromo-1H-pyrimidin-2-one;6-amino-5-methyl-1H-pyrimidin-2-one

C9H11BrN6O2 — CID 158467141

IUPAC6-amino-5-bromo-1H-pyrimidin-2-one;6-amino-5-methyl-1H-pyrimidin-2-one
SMILESCc1cnc(=O)[nH]c1N.Nc1[nH]c(=O)ncc1Br
InChIInChI=1S/C5H7N3O.C4H4BrN3O/c1-3-2-7-5(9)8-4(3)6;5-2-1-7-4(9)8-3(2)6/h2H,1H3,(H3,6,7,8,9);1H,(H3,6,7,8,9)
InChIKeyHFWXTJUGYOAOBP-UHFFFAOYSA-N
MW315.13 g/mol
LogP-0.22
Rot. Bonds

About 6-amino-5-bromo-1H-pyrimidin-2-one;6-amino-5-methyl-1H-pyrimidin-2-one

6-amino-5-bromo-1H-pyrimidin-2-one;6-amino-5-methyl-1H-pyrimidin-2-one (PubChem CID 158467141) has the molecular formula C9H11BrN6O2 and a molecular weight of 315.13 g/mol. Its IUPAC name is 6-amino-5-bromo-1H-pyrimidin-2-one;6-amino-5-methyl-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-amino-5-bromo-1H-pyrimidin-2-one;6-amino-5-methyl-1H-pyrimidin-2-one
PubChem CID158467141
Molecular FormulaC9H11BrN6O2
Molecular Weight315.13 g/mol
Exact Mass314.01
IUPAC Name6-amino-5-bromo-1H-pyrimidin-2-one;6-amino-5-methyl-1H-pyrimidin-2-one
SMILESCc1cnc(=O)[nH]c1N.Nc1[nH]c(=O)ncc1Br
InChIInChI=1S/C5H7N3O.C4H4BrN3O/c1-3-2-7-5(9)8-4(3)6;5-2-1-7-4(9)8-3(2)6/h2H,1H3,(H3,6,7,8,9);1H,(H3,6,7,8,9)
InChIKeyHFWXTJUGYOAOBP-UHFFFAOYSA-N
XLogP-0.22
TPSA143.54 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.13
LogP ≤ 5-0.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-bromo-1H-pyrimidin-2-one;6-amino-5-methyl-1H-pyrimidin-2-one?
The IUPAC name of 6-amino-5-bromo-1H-pyrimidin-2-one;6-amino-5-methyl-1H-pyrimidin-2-one (CID 158467141) is 6-amino-5-bromo-1H-pyrimidin-2-one;6-amino-5-methyl-1H-pyrimidin-2-one.
What is the SMILES notation for 6-amino-5-bromo-1H-pyrimidin-2-one;6-amino-5-methyl-1H-pyrimidin-2-one?
The canonical SMILES for 6-amino-5-bromo-1H-pyrimidin-2-one;6-amino-5-methyl-1H-pyrimidin-2-one is Cc1cnc(=O)[nH]c1N.Nc1[nH]c(=O)ncc1Br.
What is the InChIKey of 6-amino-5-bromo-1H-pyrimidin-2-one;6-amino-5-methyl-1H-pyrimidin-2-one?
The InChIKey is HFWXTJUGYOAOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O.C4H4BrN3O/c1-3-2-7-5(9)8-4(3)6;5-2-1-7-4(9)8-3(2)6/h2H,1H3,(H3,6,7,8,9);1H,(H3,6,7,8,9).
What are the key properties of 6-amino-5-bromo-1H-pyrimidin-2-one;6-amino-5-methyl-1H-pyrimidin-2-one?
6-amino-5-bromo-1H-pyrimidin-2-one;6-amino-5-methyl-1H-pyrimidin-2-one has a molecular weight of 315.13 g/mol, XLogP of -0.22, 0 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-bromo-1H-pyrimidin-2-one;6-amino-5-methyl-1H-pyrimidin-2-one is sourced from PubChem (CID 158467141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).