4-[(5-bromo-2-chloropyrimidin-4-yl)amino]butanamide

C8H10BrClN4O — CID 79075455

IUPAC4-[(5-bromo-2-chloropyrimidin-4-yl)amino]butanamide
SMILESNC(=O)CCCNc1nc(Cl)ncc1Br
InChIInChI=1S/C8H10BrClN4O/c9-5-4-13-8(10)14-7(5)12-3-1-2-6(11)15/h4H,1-3H2,(H2,11,15)(H,12,13,14)
InChIKeySNEACVCLHNKBGD-UHFFFAOYSA-N
MW293.55 g/mol
LogP1.57
Rot. Bonds5

About 4-[(5-bromo-2-chloropyrimidin-4-yl)amino]butanamide

4-[(5-bromo-2-chloropyrimidin-4-yl)amino]butanamide (PubChem CID 79075455) has the molecular formula C8H10BrClN4O and a molecular weight of 293.55 g/mol. Its IUPAC name is 4-[(5-bromo-2-chloropyrimidin-4-yl)amino]butanamide.

Molecular Properties

Compound Name4-[(5-bromo-2-chloropyrimidin-4-yl)amino]butanamide
PubChem CID79075455
Molecular FormulaC8H10BrClN4O
Molecular Weight293.55 g/mol
Exact Mass291.97
IUPAC Name4-[(5-bromo-2-chloropyrimidin-4-yl)amino]butanamide
SMILESNC(=O)CCCNc1nc(Cl)ncc1Br
InChIInChI=1S/C8H10BrClN4O/c9-5-4-13-8(10)14-7(5)12-3-1-2-6(11)15/h4H,1-3H2,(H2,11,15)(H,12,13,14)
InChIKeySNEACVCLHNKBGD-UHFFFAOYSA-N
XLogP1.57
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.55
LogP ≤ 51.57
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

5-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]pentanamide
CID 106241957
N-[3-[(5-bromo-2-chloropyrimidin-4-yl)amino]propyl]-3-methoxypropanamide
CID 71496994
5-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]amino]pentanamide
CID 114162870
4-[(5-bromo-2-chloropyrimidin-4-yl)amino]butan-2-ol
CID 79073499
5-bromo-2-chloro-N-propylpyrimidin-4-amine
CID 53485997
3-[(5-bromo-2-chloropyrimidin-4-yl)amino]-1-piperidin-1-ylpropan-1-one
CID 113411617
5-[(5-bromopyrimidin-4-yl)amino]pentanamide
CID 103915031
5-bromo-2-chloro-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine
CID 79073107
N-[2-[(5-bromo-2-chloropyrimidin-4-yl)amino]ethyl]-4-methylbenzamide
CID 106192847
ethyl 4-[(2-chloro-5-fluoropyrimidin-4-yl)amino]butanoate
CID 79076101
1-acetyl-N-[3-[(5-bromo-2-chloropyrimidin-4-yl)amino]propyl]piperidine-4-carboxamide
CID 71497078
4-[2-[(5-bromo-2-chloropyrimidin-4-yl)amino]ethyl]phenol
CID 79076702

Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromo-2-chloropyrimidin-4-yl)amino]butanamide?
The IUPAC name of 4-[(5-bromo-2-chloropyrimidin-4-yl)amino]butanamide (CID 79075455) is 4-[(5-bromo-2-chloropyrimidin-4-yl)amino]butanamide.
What is the SMILES notation for 4-[(5-bromo-2-chloropyrimidin-4-yl)amino]butanamide?
The canonical SMILES for 4-[(5-bromo-2-chloropyrimidin-4-yl)amino]butanamide is NC(=O)CCCNc1nc(Cl)ncc1Br.
What is the InChIKey of 4-[(5-bromo-2-chloropyrimidin-4-yl)amino]butanamide?
The InChIKey is SNEACVCLHNKBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrClN4O/c9-5-4-13-8(10)14-7(5)12-3-1-2-6(11)15/h4H,1-3H2,(H2,11,15)(H,12,13,14).
What are the key properties of 4-[(5-bromo-2-chloropyrimidin-4-yl)amino]butanamide?
4-[(5-bromo-2-chloropyrimidin-4-yl)amino]butanamide has a molecular weight of 293.55 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 4-[(5-bromo-2-chloropyrimidin-4-yl)amino]butanamide is sourced from PubChem (CID 79075455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).