5-bromo-4-[(2-hydroxy-2,4-dimethylpentyl)amino]-1H-pyrimidin-6-one

C11H18BrN3O2 — CID 136956906

IUPAC5-bromo-4-[(2-hydroxy-2,4-dimethylpentyl)amino]-1H-pyrimidin-6-one
SMILESCC(C)CC(C)(O)CNc1nc[nH]c(=O)c1Br
InChIInChI=1S/C11H18BrN3O2/c1-7(2)4-11(3,17)5-13-9-8(12)10(16)15-6-14-9/h6-7,17H,4-5H2,1-3H3,(H2,13,14,15,16)
InChIKeyHFIGQJUTSNVBIQ-UHFFFAOYSA-N
MW304.19 g/mol
LogP1.74
Rot. Bonds5

About 5-bromo-4-[(2-hydroxy-2,4-dimethylpentyl)amino]-1H-pyrimidin-6-one

5-bromo-4-[(2-hydroxy-2,4-dimethylpentyl)amino]-1H-pyrimidin-6-one (PubChem CID 136956906) has the molecular formula C11H18BrN3O2 and a molecular weight of 304.19 g/mol. Its IUPAC name is 5-bromo-4-[(2-hydroxy-2,4-dimethylpentyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-[(2-hydroxy-2,4-dimethylpentyl)amino]-1H-pyrimidin-6-one
PubChem CID136956906
Molecular FormulaC11H18BrN3O2
Molecular Weight304.19 g/mol
Exact Mass303.06
IUPAC Name5-bromo-4-[(2-hydroxy-2,4-dimethylpentyl)amino]-1H-pyrimidin-6-one
SMILESCC(C)CC(C)(O)CNc1nc[nH]c(=O)c1Br
InChIInChI=1S/C11H18BrN3O2/c1-7(2)4-11(3,17)5-13-9-8(12)10(16)15-6-14-9/h6-7,17H,4-5H2,1-3H3,(H2,13,14,15,16)
InChIKeyHFIGQJUTSNVBIQ-UHFFFAOYSA-N
XLogP1.74
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.19
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-bromo-4-[(2-hydroxy-2,4-dimethylpentyl)amino]-1H-pyrimidin-6-one 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

5-bromo-4-[(1-methoxycyclobutyl)methylamino]-1H-pyrimidin-6-one
CID 136696651
5-bromo-4-[(2-hydroxy-4,4-dimethylpentyl)amino]-1H-pyrimidin-6-one
CID 136703829
5-bromo-4-[(2-hydroxy-4-methylpentyl)amino]-1H-pyrimidin-6-one
CID 136703838
5-bromo-4-[(3-ethyl-2-hydroxypentyl)amino]-1H-pyrimidin-6-one
CID 136817759
5-bromo-4-[(2-hydroxy-2-methylpentyl)amino]-1H-pyrimidin-6-one
CID 136819387
4-[(2-hydroxy-2-methylpentyl)amino]-1H-pyrimidin-6-one
CID 136819391
4-[(2-hydroxy-2-methylpentyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136819392
5-chloro-4-[(2-hydroxy-2-methylpentyl)amino]-1H-pyrimidin-6-one
CID 136819393
5-bromo-4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-1H-pyrimidin-6-one
CID 136870593
5-bromo-4-[(5-hydroxy-4-methylpentyl)amino]-1H-pyrimidin-6-one
CID 136901124
5-bromo-4-(4-methylpentylamino)-1H-pyrimidin-6-one
CID 136956260
5-bromo-4-[(1-hydroxy-4-methylpentan-2-yl)amino]-1H-pyrimidin-6-one
CID 136956305

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[(2-hydroxy-2,4-dimethylpentyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-[(2-hydroxy-2,4-dimethylpentyl)amino]-1H-pyrimidin-6-one (CID 136956906) is 5-bromo-4-[(2-hydroxy-2,4-dimethylpentyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-[(2-hydroxy-2,4-dimethylpentyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-[(2-hydroxy-2,4-dimethylpentyl)amino]-1H-pyrimidin-6-one is CC(C)CC(C)(O)CNc1nc[nH]c(=O)c1Br.
What is the InChIKey of 5-bromo-4-[(2-hydroxy-2,4-dimethylpentyl)amino]-1H-pyrimidin-6-one?
The InChIKey is HFIGQJUTSNVBIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3O2/c1-7(2)4-11(3,17)5-13-9-8(12)10(16)15-6-14-9/h6-7,17H,4-5H2,1-3H3,(H2,13,14,15,16).
What are the key properties of 5-bromo-4-[(2-hydroxy-2,4-dimethylpentyl)amino]-1H-pyrimidin-6-one?
5-bromo-4-[(2-hydroxy-2,4-dimethylpentyl)amino]-1H-pyrimidin-6-one has a molecular weight of 304.19 g/mol, XLogP of 1.74, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[(2-hydroxy-2,4-dimethylpentyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136956906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).