2-[(5-bromopyrimidin-4-yl)amino]-N-propylpropanamide

C10H15BrN4O — CID 66340999

IUPAC2-[(5-bromopyrimidin-4-yl)amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)Nc1ncncc1Br
InChIInChI=1S/C10H15BrN4O/c1-3-4-13-10(16)7(2)15-9-8(11)5-12-6-14-9/h5-7H,3-4H2,1-2H3,(H,13,16)(H,12,14,15)
InChIKeyGDQRIBWHEVMBPA-UHFFFAOYSA-N
MW287.16 g/mol
LogP1.57
Rot. Bonds5

About 2-[(5-bromopyrimidin-4-yl)amino]-N-propylpropanamide

2-[(5-bromopyrimidin-4-yl)amino]-N-propylpropanamide (PubChem CID 66340999) has the molecular formula C10H15BrN4O and a molecular weight of 287.16 g/mol. Its IUPAC name is 2-[(5-bromopyrimidin-4-yl)amino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[(5-bromopyrimidin-4-yl)amino]-N-propylpropanamide
PubChem CID66340999
Molecular FormulaC10H15BrN4O
Molecular Weight287.16 g/mol
Exact Mass286.04
IUPAC Name2-[(5-bromopyrimidin-4-yl)amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)Nc1ncncc1Br
InChIInChI=1S/C10H15BrN4O/c1-3-4-13-10(16)7(2)15-9-8(11)5-12-6-14-9/h5-7H,3-4H2,1-2H3,(H,13,16)(H,12,14,15)
InChIKeyGDQRIBWHEVMBPA-UHFFFAOYSA-N
XLogP1.57
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(5-bromopyrimidin-4-yl)amino]-N-propylpropanamide 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

2-[(5-bromopyrimidin-4-yl)amino]propanoic acid
CID 83843664
methyl 2-[(5-bromopyrimidin-4-yl)amino]propanoate
CID 66342541
2-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-N-propylpropanamide
CID 80896950
2-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]-N-propylpropanamide
CID 80801346
2-[(6-amino-5-ethylpyrimidin-4-yl)amino]-N-propylpropanamide
CID 80800536
2-[(6-amino-5-chloropyrimidin-4-yl)amino]-N-propylpropanamide
CID 114049769
2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]-N-propylpropanamide
CID 136956505
2-[(5-bromo-3-nitro-2-pyridinyl)amino]-N-propylpropanamide
CID 61480118
2-[(5-bromopyrimidin-4-yl)amino]-3-methylbutan-1-ol
CID 79248958
3-[(5-bromopyrimidin-4-yl)amino]-2-methylbutan-1-ol
CID 115715016
2-[(5-bromopyrimidin-4-yl)amino]butan-1-ol
CID 22024679
3-[(5-bromopyrimidin-4-yl)amino]butan-1-ol
CID 80712175

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromopyrimidin-4-yl)amino]-N-propylpropanamide?
The IUPAC name of 2-[(5-bromopyrimidin-4-yl)amino]-N-propylpropanamide (CID 66340999) is 2-[(5-bromopyrimidin-4-yl)amino]-N-propylpropanamide.
What is the SMILES notation for 2-[(5-bromopyrimidin-4-yl)amino]-N-propylpropanamide?
The canonical SMILES for 2-[(5-bromopyrimidin-4-yl)amino]-N-propylpropanamide is CCCNC(=O)C(C)Nc1ncncc1Br.
What is the InChIKey of 2-[(5-bromopyrimidin-4-yl)amino]-N-propylpropanamide?
The InChIKey is GDQRIBWHEVMBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN4O/c1-3-4-13-10(16)7(2)15-9-8(11)5-12-6-14-9/h5-7H,3-4H2,1-2H3,(H,13,16)(H,12,14,15).
What are the key properties of 2-[(5-bromopyrimidin-4-yl)amino]-N-propylpropanamide?
2-[(5-bromopyrimidin-4-yl)amino]-N-propylpropanamide has a molecular weight of 287.16 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromopyrimidin-4-yl)amino]-N-propylpropanamide is sourced from PubChem (CID 66340999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).