3-[[5-bromo-2-(3-fluoroanilino)pyrimidin-4-yl]amino]propanamide

C13H13BrFN5O — CID 68621888

IUPAC3-[[5-bromo-2-(3-fluoroanilino)pyrimidin-4-yl]amino]propanamide
SMILESNC(=O)CCNc1nc(Nc2cccc(F)c2)ncc1Br
InChIInChI=1S/C13H13BrFN5O/c14-10-7-18-13(19-9-3-1-2-8(15)6-9)20-12(10)17-5-4-11(16)21/h1-3,6-7H,4-5H2,(H2,16,21)(H2,17,18,19,20)
InChIKeySFWOPWFJBMYDBY-UHFFFAOYSA-N
MW354.18 g/mol
LogP2.41
Rot. Bonds6

About 3-[[5-bromo-2-(3-fluoroanilino)pyrimidin-4-yl]amino]propanamide

3-[[5-bromo-2-(3-fluoroanilino)pyrimidin-4-yl]amino]propanamide (PubChem CID 68621888) has the molecular formula C13H13BrFN5O and a molecular weight of 354.18 g/mol. Its IUPAC name is 3-[[5-bromo-2-(3-fluoroanilino)pyrimidin-4-yl]amino]propanamide.

Molecular Properties

Compound Name3-[[5-bromo-2-(3-fluoroanilino)pyrimidin-4-yl]amino]propanamide
PubChem CID68621888
Molecular FormulaC13H13BrFN5O
Molecular Weight354.18 g/mol
Exact Mass353.03
IUPAC Name3-[[5-bromo-2-(3-fluoroanilino)pyrimidin-4-yl]amino]propanamide
SMILESNC(=O)CCNc1nc(Nc2cccc(F)c2)ncc1Br
InChIInChI=1S/C13H13BrFN5O/c14-10-7-18-13(19-9-3-1-2-8(15)6-9)20-12(10)17-5-4-11(16)21/h1-3,6-7H,4-5H2,(H2,16,21)(H2,17,18,19,20)
InChIKeySFWOPWFJBMYDBY-UHFFFAOYSA-N
XLogP2.41
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.18
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[[5-bromo-2-(3-fluoroanilino)pyrimidin-4-yl]amino]propanamide 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

N-[3-[[5-bromo-2-(3-fluoroanilino)pyrimidin-4-yl]amino]propyl]pyrazine-2-carboxamide
CID 71450663
2-(3-fluoroanilino)-4-(propylamino)pyrimidine-5-carbonyl chloride
CID 90052201
3-[[5-bromo-2-[3-(pyrrolidine-1-carbonylamino)anilino]pyrimidin-4-yl]amino]propanoic acid
CID 68819718
5-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]pentanamide
CID 106241957
3-[[5-cyclopropyl-2-(4-fluoroanilino)pyrimidin-4-yl]amino]propanamide
CID 68622908
3-[[5-bromo-4-[(3-fluorophenyl)methylamino]pyrimidin-2-yl]amino]-N-piperidin-3-ylbenzamide
CID 163209612
N'-[3-[[2-[3-[(2-aminoacetyl)amino]anilino]-5-bromopyrimidin-4-yl]amino]propyl]-2,2-dimethylpropanediamide
CID 58491772
N-[2-[[5-bromo-2-(3-chloro-4-fluoroanilino)pyrimidin-4-yl]amino]ethyl]acetamide
CID 59354098
5-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]amino]pentanamide
CID 114162870
N-[3-[[5-bromo-4-[2-(1H-imidazol-5-yl)ethylamino]pyrimidin-2-yl]amino]phenyl]acetamide
CID 10364570
diethyl 2-[4-[2-(3-fluoroanilino)-4-(propylamino)pyrimidin-5-yl]-2-methylbut-3-yn-2-yl]propanedioate
CID 90052124
(4Z)-2-amino-N-[3-[[5-bromo-4-[[(Z)-4-ethenylhex-4-enyl]amino]pyrimidin-2-yl]amino]phenyl]-4-ethenylhepta-4,6-dienamide;ethene
CID 142900406

Frequently Asked Questions

What is the IUPAC name of 3-[[5-bromo-2-(3-fluoroanilino)pyrimidin-4-yl]amino]propanamide?
The IUPAC name of 3-[[5-bromo-2-(3-fluoroanilino)pyrimidin-4-yl]amino]propanamide (CID 68621888) is 3-[[5-bromo-2-(3-fluoroanilino)pyrimidin-4-yl]amino]propanamide.
What is the SMILES notation for 3-[[5-bromo-2-(3-fluoroanilino)pyrimidin-4-yl]amino]propanamide?
The canonical SMILES for 3-[[5-bromo-2-(3-fluoroanilino)pyrimidin-4-yl]amino]propanamide is NC(=O)CCNc1nc(Nc2cccc(F)c2)ncc1Br.
What is the InChIKey of 3-[[5-bromo-2-(3-fluoroanilino)pyrimidin-4-yl]amino]propanamide?
The InChIKey is SFWOPWFJBMYDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrFN5O/c14-10-7-18-13(19-9-3-1-2-8(15)6-9)20-12(10)17-5-4-11(16)21/h1-3,6-7H,4-5H2,(H2,16,21)(H2,17,18,19,20).
What are the key properties of 3-[[5-bromo-2-(3-fluoroanilino)pyrimidin-4-yl]amino]propanamide?
3-[[5-bromo-2-(3-fluoroanilino)pyrimidin-4-yl]amino]propanamide has a molecular weight of 354.18 g/mol, XLogP of 2.41, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-bromo-2-(3-fluoroanilino)pyrimidin-4-yl]amino]propanamide is sourced from PubChem (CID 68621888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).