5-[(5-bromopyrimidin-4-yl)amino]pentanamide

C9H13BrN4O — CID 103915031

IUPAC5-[(5-bromopyrimidin-4-yl)amino]pentanamide
SMILESNC(=O)CCCCNc1ncncc1Br
InChIInChI=1S/C9H13BrN4O/c10-7-5-12-6-14-9(7)13-4-2-1-3-8(11)15/h5-6H,1-4H2,(H2,11,15)(H,12,13,14)
InChIKeyUDVUKJIRYYNGRI-UHFFFAOYSA-N
MW273.13 g/mol
LogP1.31
Rot. Bonds6

About 5-[(5-bromopyrimidin-4-yl)amino]pentanamide

5-[(5-bromopyrimidin-4-yl)amino]pentanamide (PubChem CID 103915031) has the molecular formula C9H13BrN4O and a molecular weight of 273.13 g/mol. Its IUPAC name is 5-[(5-bromopyrimidin-4-yl)amino]pentanamide.

Molecular Properties

Compound Name5-[(5-bromopyrimidin-4-yl)amino]pentanamide
PubChem CID103915031
Molecular FormulaC9H13BrN4O
Molecular Weight273.13 g/mol
Exact Mass272.03
IUPAC Name5-[(5-bromopyrimidin-4-yl)amino]pentanamide
SMILESNC(=O)CCCCNc1ncncc1Br
InChIInChI=1S/C9H13BrN4O/c10-7-5-12-6-14-9(7)13-4-2-1-3-8(11)15/h5-6H,1-4H2,(H2,11,15)(H,12,13,14)
InChIKeyUDVUKJIRYYNGRI-UHFFFAOYSA-N
XLogP1.31
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(5-Bromo-2-pyrimidinyl)-4-piperidinecarboxamide
CID 46907712
1-[4-[(5-Bromopyrimidin-2-yl)amino]piperidin-1-yl]butan-1-one
CID 75370282
N-(5-bromopyrimidin-2-yl)tetradecanamide
CID 168292175
Pyrimidine, 5-bromo-4-butylamino-
CID 66340315
4-(5-Fluoropyrimidin-2-yl)butanamide
CID 67017175
N-(5-Bromopyrimidin-4-yl)cyclopropanecarboxamide
CID 139071807
1-(5-bromopyrimidin-2-yl)-N-methylcyclopropane-1-carboxamide
CID 176431803
4-[(2-Chloro-5-fluoropyrimidin-4-yl)amino]butanamide
CID 79081251
3-[(2-Amino-5-fluoropyrimidin-4-yl)amino]propanamide
CID 80786986
3-[[2-(Ethylamino)-5-fluoropyrimidin-4-yl]amino]propanamide
CID 80787383
3-[[5-Fluoro-2-(methylamino)pyrimidin-4-yl]amino]propanamide
CID 80787512
4-[(2-Amino-5-fluoropyrimidin-4-yl)amino]butanamide
CID 80790514

Frequently Asked Questions

What is the IUPAC name of 5-[(5-bromopyrimidin-4-yl)amino]pentanamide?
The IUPAC name of 5-[(5-bromopyrimidin-4-yl)amino]pentanamide (CID 103915031) is 5-[(5-bromopyrimidin-4-yl)amino]pentanamide.
What is the SMILES notation for 5-[(5-bromopyrimidin-4-yl)amino]pentanamide?
The canonical SMILES for 5-[(5-bromopyrimidin-4-yl)amino]pentanamide is NC(=O)CCCCNc1ncncc1Br.
What is the InChIKey of 5-[(5-bromopyrimidin-4-yl)amino]pentanamide?
The InChIKey is UDVUKJIRYYNGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN4O/c10-7-5-12-6-14-9(7)13-4-2-1-3-8(11)15/h5-6H,1-4H2,(H2,11,15)(H,12,13,14).
What are the key properties of 5-[(5-bromopyrimidin-4-yl)amino]pentanamide?
5-[(5-bromopyrimidin-4-yl)amino]pentanamide has a molecular weight of 273.13 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-bromopyrimidin-4-yl)amino]pentanamide is sourced from PubChem (CID 103915031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).