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

Analyze 1-amino-3-bromo-N-pyrimidin-5-ylpyrrole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Hymenidin
CID 6439099
N-[(Z)-3-(2-amino-3-methylimidazol-4-yl)prop-2-enyl]-4-bromo-1H-pyrrole-2-carboxamide
CID 10471474
4-bromo-5-propan-2-yl-N-pyridin-2-yl-1H-pyrazole-3-carboxamide
CID 53614850
4-bromo-N-(5-bromopyridin-2-yl)-2-methylpyrazole-3-carboxamide
CID 1222154
N-[(E)-3-(2-amino-1H-imidazol-5-yl)prop-1-enyl]-4-bromo-1H-pyrrole-2-carboxamide;hydrochloride
CID 71457638
N-pyridin-3-ylpyrimidine-4-carboxamide
CID 91470161
2-imidazol-1-yl-N-pyridin-4-ylpyrimidine-4-carboxamide
CID 170774143
N-[3-(2-amino-1H-imidazol-5-yl)prop-2-enyl]-4-bromo-1H-pyrrole-2-carboxamide
CID 129487
N-[3-(2-amino-3-methylimidazol-4-yl)prop-2-enyl]-4-bromo-1H-pyrrole-2-carboxamide
CID 70519477
N-(5-bromopyridin-2-yl)-2-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 4649294
4-bromo-N-(2-imidazol-1-ylethyl)-1H-pyrrole-2-carboxamide
CID 45805421
N-(2-(1H-imidazol-1-yl)pyrimidin-5-yl)picolinamide
CID 71789875

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).