5-bromo-4-(pyrrol-1-ylamino)-1H-pyrimidin-6-one

C8H7BrN4O — CID 136976272

IUPAC5-bromo-4-(pyrrol-1-ylamino)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(Nn2cccc2)c1Br
InChIInChI=1S/C8H7BrN4O/c9-6-7(10-5-11-8(6)14)12-13-3-1-2-4-13/h1-5H,(H2,10,11,12,14)
InChIKeyDIVXLGSEVADTMQ-UHFFFAOYSA-N
MW255.08 g/mol
LogP1.21
Rot. Bonds2

About 5-bromo-4-(pyrrol-1-ylamino)-1H-pyrimidin-6-one

5-bromo-4-(pyrrol-1-ylamino)-1H-pyrimidin-6-one (PubChem CID 136976272) has the molecular formula C8H7BrN4O and a molecular weight of 255.08 g/mol. Its IUPAC name is 5-bromo-4-(pyrrol-1-ylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-(pyrrol-1-ylamino)-1H-pyrimidin-6-one
PubChem CID136976272
Molecular FormulaC8H7BrN4O
Molecular Weight255.08 g/mol
Exact Mass253.98
IUPAC Name5-bromo-4-(pyrrol-1-ylamino)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(Nn2cccc2)c1Br
InChIInChI=1S/C8H7BrN4O/c9-6-7(10-5-11-8(6)14)12-13-3-1-2-4-13/h1-5H,(H2,10,11,12,14)
InChIKeyDIVXLGSEVADTMQ-UHFFFAOYSA-N
XLogP1.21
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.08
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(pyrrol-1-ylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-(pyrrol-1-ylamino)-1H-pyrimidin-6-one (CID 136976272) is 5-bromo-4-(pyrrol-1-ylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-(pyrrol-1-ylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-(pyrrol-1-ylamino)-1H-pyrimidin-6-one is O=c1[nH]cnc(Nn2cccc2)c1Br.
What is the InChIKey of 5-bromo-4-(pyrrol-1-ylamino)-1H-pyrimidin-6-one?
The InChIKey is DIVXLGSEVADTMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN4O/c9-6-7(10-5-11-8(6)14)12-13-3-1-2-4-13/h1-5H,(H2,10,11,12,14).
What are the key properties of 5-bromo-4-(pyrrol-1-ylamino)-1H-pyrimidin-6-one?
5-bromo-4-(pyrrol-1-ylamino)-1H-pyrimidin-6-one has a molecular weight of 255.08 g/mol, XLogP of 1.21, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(pyrrol-1-ylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136976272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).