5-bromo-4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-1H-pyrimidin-6-one

C10H16BrN3O2 — CID 136870593

IUPAC5-bromo-4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-1H-pyrimidin-6-one
SMILESCC(C)(O)C(C)(C)Nc1nc[nH]c(=O)c1Br
InChIInChI=1S/C10H16BrN3O2/c1-9(2,10(3,4)16)14-7-6(11)8(15)13-5-12-7/h5,16H,1-4H3,(H2,12,13,14,15)
InChIKeyGTSNJOCYFHBUTO-UHFFFAOYSA-N
MW290.16 g/mol
LogP1.49
Rot. Bonds3

About 5-bromo-4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-1H-pyrimidin-6-one

5-bromo-4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-1H-pyrimidin-6-one (PubChem CID 136870593) has the molecular formula C10H16BrN3O2 and a molecular weight of 290.16 g/mol. Its IUPAC name is 5-bromo-4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-1H-pyrimidin-6-one
PubChem CID136870593
Molecular FormulaC10H16BrN3O2
Molecular Weight290.16 g/mol
Exact Mass289.04
IUPAC Name5-bromo-4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-1H-pyrimidin-6-one
SMILESCC(C)(O)C(C)(C)Nc1nc[nH]c(=O)c1Br
InChIInChI=1S/C10H16BrN3O2/c1-9(2,10(3,4)16)14-7-6(11)8(15)13-5-12-7/h5,16H,1-4H3,(H2,12,13,14,15)
InChIKeyGTSNJOCYFHBUTO-UHFFFAOYSA-N
XLogP1.49
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.16
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-[(2-hydroxy-2-methylpentyl)amino]-1H-pyrimidin-6-one
CID 136819387
5-amino-4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-1H-pyrimidin-6-one
CID 136870592
4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-1H-pyrimidin-6-one
CID 136870597
4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136870598
5-chloro-4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-1H-pyrimidin-6-one
CID 136870599
5-bromo-4-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-1H-pyrimidin-6-one
CID 136871936
5-bromo-4-[(2-hydroxy-2-methylpropyl)amino]-1H-pyrimidin-6-one
CID 136956749
5-bromo-4-[(2-ethyl-2-hydroxybutyl)amino]-1H-pyrimidin-6-one
CID 136956753
5-bromo-4-[(2-hydroxy-2-methylbutyl)amino]-1H-pyrimidin-6-one
CID 136956782
5-bromo-4-[(2-hydroxy-2,4-dimethylpentyl)amino]-1H-pyrimidin-6-one
CID 136956906
5-bromo-4-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-1H-pyrimidin-6-one
CID 136957040
5-bromo-4-(2-methylbutan-2-ylamino)-1H-pyrimidin-6-one
CID 136957232

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-1H-pyrimidin-6-one (CID 136870593) is 5-bromo-4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-1H-pyrimidin-6-one is CC(C)(O)C(C)(C)Nc1nc[nH]c(=O)c1Br.
What is the InChIKey of 5-bromo-4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is GTSNJOCYFHBUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3O2/c1-9(2,10(3,4)16)14-7-6(11)8(15)13-5-12-7/h5,16H,1-4H3,(H2,12,13,14,15).
What are the key properties of 5-bromo-4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-1H-pyrimidin-6-one?
5-bromo-4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-1H-pyrimidin-6-one has a molecular weight of 290.16 g/mol, XLogP of 1.49, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136870593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).