5-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]amino]pentanamide

C11H18BrN5O — CID 114162870

IUPAC5-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]amino]pentanamide
SMILESCCNc1ncc(Br)c(NCCCCC(N)=O)n1
InChIInChI=1S/C11H18BrN5O/c1-2-14-11-16-7-8(12)10(17-11)15-6-4-3-5-9(13)18/h7H,2-6H2,1H3,(H2,13,18)(H2,14,15,16,17)
InChIKeyYGANXKVTFOZENF-UHFFFAOYSA-N
MW316.20 g/mol
LogP1.74
Rot. Bonds8

About 5-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]amino]pentanamide

5-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]amino]pentanamide (PubChem CID 114162870) has the molecular formula C11H18BrN5O and a molecular weight of 316.20 g/mol. Its IUPAC name is 5-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]amino]pentanamide.

Molecular Properties

Compound Name5-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]amino]pentanamide
PubChem CID114162870
Molecular FormulaC11H18BrN5O
Molecular Weight316.20 g/mol
Exact Mass315.07
IUPAC Name5-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]amino]pentanamide
SMILESCCNc1ncc(Br)c(NCCCCC(N)=O)n1
InChIInChI=1S/C11H18BrN5O/c1-2-14-11-16-7-8(12)10(17-11)15-6-4-3-5-9(13)18/h7H,2-6H2,1H3,(H2,13,18)(H2,14,15,16,17)
InChIKeyYGANXKVTFOZENF-UHFFFAOYSA-N
XLogP1.74
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.20
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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
5-bromo-2-N-ethyl-4-N-(4-methoxybutyl)pyrimidine-2,4-diamine
CID 80813928
5-bromo-4-N-(3-ethoxypropyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80773193
5-[(2-hydrazinyl-5-methylpyrimidin-4-yl)amino]pentanamide
CID 106241936
4-[(5-bromo-2-chloropyrimidin-4-yl)amino]butanamide
CID 79075455
3-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]amino]-N-butan-2-ylpropanamide
CID 80819829
5-bromo-4-N-octyl-2-N-propylpyrimidine-2,4-diamine
CID 115565375
5-[(5-bromopyrimidin-4-yl)amino]pentanamide
CID 103915031
5-[[2-(ethylamino)quinazolin-4-yl]amino]pentanamide
CID 106241710
5-bromo-4-N-decyl-2-N-methylpyrimidine-2,4-diamine
CID 80854822
methyl 3-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]propanoate
CID 80899107
3-[[5-bromo-2-(propylamino)pyrimidin-4-yl]amino]-2,2-dimethylpropanamide
CID 106280543

Frequently Asked Questions

What is the IUPAC name of 5-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]amino]pentanamide?
The IUPAC name of 5-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]amino]pentanamide (CID 114162870) is 5-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]amino]pentanamide.
What is the SMILES notation for 5-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]amino]pentanamide?
The canonical SMILES for 5-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]amino]pentanamide is CCNc1ncc(Br)c(NCCCCC(N)=O)n1.
What is the InChIKey of 5-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]amino]pentanamide?
The InChIKey is YGANXKVTFOZENF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN5O/c1-2-14-11-16-7-8(12)10(17-11)15-6-4-3-5-9(13)18/h7H,2-6H2,1H3,(H2,13,18)(H2,14,15,16,17).
What are the key properties of 5-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]amino]pentanamide?
5-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]amino]pentanamide has a molecular weight of 316.20 g/mol, XLogP of 1.74, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]amino]pentanamide is sourced from PubChem (CID 114162870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).