1-amino-3-bromo-N-pyrimidin-5-ylpyrrole-2-carboxamide

C9H8BrN5O — CID 141352713

IUPAC1-amino-3-bromo-N-pyrimidin-5-ylpyrrole-2-carboxamide
SMILESNn1ccc(Br)c1C(=O)Nc1cncnc1
InChIInChI=1S/C9H8BrN5O/c10-7-1-2-15(11)8(7)9(16)14-6-3-12-5-13-4-6/h1-5H,11H2,(H,14,16)
InChIKeyVBBOQLXBRCJPQC-UHFFFAOYSA-N
MW282.10 g/mol
LogP1.01
Rot. Bonds2

About 1-amino-3-bromo-N-pyrimidin-5-ylpyrrole-2-carboxamide

1-amino-3-bromo-N-pyrimidin-5-ylpyrrole-2-carboxamide (PubChem CID 141352713) has the molecular formula C9H8BrN5O and a molecular weight of 282.10 g/mol. Its IUPAC name is 1-amino-3-bromo-N-pyrimidin-5-ylpyrrole-2-carboxamide.

Molecular Properties

Compound Name1-amino-3-bromo-N-pyrimidin-5-ylpyrrole-2-carboxamide
PubChem CID141352713
Molecular FormulaC9H8BrN5O
Molecular Weight282.10 g/mol
Exact Mass280.99
IUPAC Name1-amino-3-bromo-N-pyrimidin-5-ylpyrrole-2-carboxamide
SMILESNn1ccc(Br)c1C(=O)Nc1cncnc1
InChIInChI=1S/C9H8BrN5O/c10-7-1-2-15(11)8(7)9(16)14-6-3-12-5-13-4-6/h1-5H,11H2,(H,14,16)
InChIKeyVBBOQLXBRCJPQC-UHFFFAOYSA-N
XLogP1.01
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.10
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-bromo-N-pyrimidin-5-ylpyrrole-2-carboxamide?
The IUPAC name of 1-amino-3-bromo-N-pyrimidin-5-ylpyrrole-2-carboxamide (CID 141352713) is 1-amino-3-bromo-N-pyrimidin-5-ylpyrrole-2-carboxamide.
What is the SMILES notation for 1-amino-3-bromo-N-pyrimidin-5-ylpyrrole-2-carboxamide?
The canonical SMILES for 1-amino-3-bromo-N-pyrimidin-5-ylpyrrole-2-carboxamide is Nn1ccc(Br)c1C(=O)Nc1cncnc1.
What is the InChIKey of 1-amino-3-bromo-N-pyrimidin-5-ylpyrrole-2-carboxamide?
The InChIKey is VBBOQLXBRCJPQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrN5O/c10-7-1-2-15(11)8(7)9(16)14-6-3-12-5-13-4-6/h1-5H,11H2,(H,14,16).
What are the key properties of 1-amino-3-bromo-N-pyrimidin-5-ylpyrrole-2-carboxamide?
1-amino-3-bromo-N-pyrimidin-5-ylpyrrole-2-carboxamide has a molecular weight of 282.10 g/mol, XLogP of 1.01, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-bromo-N-pyrimidin-5-ylpyrrole-2-carboxamide is sourced from PubChem (CID 141352713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).