3-bromo-5-(2-hydroxy-2-methylpropyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-one

C10H13BrN4O2 — CID 110932658

IUPAC3-bromo-5-(2-hydroxy-2-methylpropyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCn1nc(Br)c2c(=O)n(CC(C)(C)O)cnc21
InChIInChI=1S/C10H13BrN4O2/c1-10(2,17)4-15-5-12-8-6(9(15)16)7(11)13-14(8)3/h5,17H,4H2,1-3H3
InChIKeyGPHAMLRHYSJUFA-UHFFFAOYSA-N
MW301.14 g/mol
LogP0.66
Rot. Bonds2

About 3-bromo-5-(2-hydroxy-2-methylpropyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-one

3-bromo-5-(2-hydroxy-2-methylpropyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 110932658) has the molecular formula C10H13BrN4O2 and a molecular weight of 301.14 g/mol. Its IUPAC name is 3-bromo-5-(2-hydroxy-2-methylpropyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-bromo-5-(2-hydroxy-2-methylpropyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-one
PubChem CID110932658
Molecular FormulaC10H13BrN4O2
Molecular Weight301.14 g/mol
Exact Mass300.02
IUPAC Name3-bromo-5-(2-hydroxy-2-methylpropyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCn1nc(Br)c2c(=O)n(CC(C)(C)O)cnc21
InChIInChI=1S/C10H13BrN4O2/c1-10(2,17)4-15-5-12-8-6(9(15)16)7(11)13-14(8)3/h5,17H,4H2,1-3H3
InChIKeyGPHAMLRHYSJUFA-UHFFFAOYSA-N
XLogP0.66
TPSA72.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.14
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-bromo-1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide
CID 51133590
3-bromo-1-methyl-5-[2-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 86952879
3-(2-hydroxy-2-methylpropyl)thieno[2,3-d]pyrimidin-4-one
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1-methyl-3-methylsulfanyl-5-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 99777708
tert-butyl 3-bromo-4-oxo-5-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazolo[5,4-d]pyrimidine-1-carboxylate
CID 129219681
3-amino-5-benzyl-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 110171162
6-[2-hydroxy-2-(trifluoromethyl)butyl]-3-methyltriazolo[4,5-d]pyrimidin-7-one
CID 138028966
5-amino-1-(2-hydroxy-2-methylpropyl)imidazole-4-carbonitrile
CID 130019406
3-(2,2-dihydroxypropyl)quinazolin-4-one
CID 142014716
6-chloro-3-(2-hydroxy-2-methylpropyl)-8-(1,2-thiazol-4-yl)pyrido[3,4-d]pyrimidin-4-one
CID 169054296
5-chloro-3-(2-hydroxy-2-methylpropyl)imidazo[4,5-b]pyridin-6-ol
CID 178129898
5-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-1-methyl-3-methylsulfanylpyrazolo[5,4-d]pyrimidin-4-one
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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(2-hydroxy-2-methylpropyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 3-bromo-5-(2-hydroxy-2-methylpropyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-one (CID 110932658) is 3-bromo-5-(2-hydroxy-2-methylpropyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 3-bromo-5-(2-hydroxy-2-methylpropyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 3-bromo-5-(2-hydroxy-2-methylpropyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-one is Cn1nc(Br)c2c(=O)n(CC(C)(C)O)cnc21.
What is the InChIKey of 3-bromo-5-(2-hydroxy-2-methylpropyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is GPHAMLRHYSJUFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN4O2/c1-10(2,17)4-15-5-12-8-6(9(15)16)7(11)13-14(8)3/h5,17H,4H2,1-3H3.
What are the key properties of 3-bromo-5-(2-hydroxy-2-methylpropyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-one?
3-bromo-5-(2-hydroxy-2-methylpropyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 301.14 g/mol, XLogP of 0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(2-hydroxy-2-methylpropyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 110932658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).