5-bromo-2-(cyclopropylamino)pyrimidine-4-carboxylic acid

C8H8BrN3O2 — CID 83844239

IUPAC5-bromo-2-(cyclopropylamino)pyrimidine-4-carboxylic acid
SMILESO=C(O)c1nc(NC2CC2)ncc1Br
InChIInChI=1S/C8H8BrN3O2/c9-5-3-10-8(11-4-1-2-4)12-6(5)7(13)14/h3-4H,1-2H2,(H,13,14)(H,10,11,12)
InChIKeyORJPGPIWDOWDDS-UHFFFAOYSA-N
MW258.07 g/mol
LogP1.51
Rot. Bonds3

About 5-bromo-2-(cyclopropylamino)pyrimidine-4-carboxylic acid

5-bromo-2-(cyclopropylamino)pyrimidine-4-carboxylic acid (PubChem CID 83844239) has the molecular formula C8H8BrN3O2 and a molecular weight of 258.07 g/mol. Its IUPAC name is 5-bromo-2-(cyclopropylamino)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name5-bromo-2-(cyclopropylamino)pyrimidine-4-carboxylic acid
PubChem CID83844239
Molecular FormulaC8H8BrN3O2
Molecular Weight258.07 g/mol
Exact Mass256.98
IUPAC Name5-bromo-2-(cyclopropylamino)pyrimidine-4-carboxylic acid
SMILESO=C(O)c1nc(NC2CC2)ncc1Br
InChIInChI=1S/C8H8BrN3O2/c9-5-3-10-8(11-4-1-2-4)12-6(5)7(13)14/h3-4H,1-2H2,(H,13,14)(H,10,11,12)
InChIKeyORJPGPIWDOWDDS-UHFFFAOYSA-N
XLogP1.51
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.07
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-bromo-2-(cyclopropylamino)pyrimidine-4-carboxylic acid 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

4-amino-2-(cyclopropylamino)pyrimidine-5-carboxylic acid
CID 116640912
5-bromo-2-(prop-2-enoxycarbonylamino)pyrimidine-4-carboxylic acid
CID 167738211
5-bromo-N-cyclohexyl-4-methylpyrimidin-2-amine
CID 115050366
5-bromo-N-cyclopropylquinazolin-2-amine
CID 165498561
1-[2-(cyclopropylamino)-4-methylpyrimidin-5-yl]ethanone
CID 71668637
[(3S,3aR,6S,6aR)-3-acetyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] 5-bromo-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimidine-4-carboxylate
CID 154520392
5-bromo-2-(phenylmethoxycarbonylamino)pyrimidine-4-carboxylic acid
CID 167740348
5-bromo-2-(thiolan-2-yl)pyrimidine-4-carboxylic acid
CID 106512127
3-[2-(cyclopropylamino)pyrimidin-5-yl]propanoic acid
CID 84675079
2-(thian-4-ylamino)pyrimidine-5-carboxylic acid
CID 115043104
2-(cyclopentylamino)pyrimidine-4-carboxylic acid
CID 91076843
5-bromo-2-(oxolan-2-ylmethyl)pyrimidine-4-carboxylic acid
CID 106512153

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(cyclopropylamino)pyrimidine-4-carboxylic acid?
The IUPAC name of 5-bromo-2-(cyclopropylamino)pyrimidine-4-carboxylic acid (CID 83844239) is 5-bromo-2-(cyclopropylamino)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 5-bromo-2-(cyclopropylamino)pyrimidine-4-carboxylic acid?
The canonical SMILES for 5-bromo-2-(cyclopropylamino)pyrimidine-4-carboxylic acid is O=C(O)c1nc(NC2CC2)ncc1Br.
What is the InChIKey of 5-bromo-2-(cyclopropylamino)pyrimidine-4-carboxylic acid?
The InChIKey is ORJPGPIWDOWDDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrN3O2/c9-5-3-10-8(11-4-1-2-4)12-6(5)7(13)14/h3-4H,1-2H2,(H,13,14)(H,10,11,12).
What are the key properties of 5-bromo-2-(cyclopropylamino)pyrimidine-4-carboxylic acid?
5-bromo-2-(cyclopropylamino)pyrimidine-4-carboxylic acid has a molecular weight of 258.07 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(cyclopropylamino)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 83844239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).