2-(6-amino-5-bromo-2-pyrazol-1-ylpyrimidin-4-yl)-3,4-dihydropyrazol-4-ol

C10H10BrN7O — CID 166656160

IUPAC2-(6-amino-5-bromo-2-pyrazol-1-ylpyrimidin-4-yl)-3,4-dihydropyrazol-4-ol
SMILESNc1nc(-n2cccn2)nc(N2CC(O)C=N2)c1Br
InChIInChI=1S/C10H10BrN7O/c11-7-8(12)15-10(17-3-1-2-13-17)16-9(7)18-5-6(19)4-14-18/h1-4,6,19H,5H2,(H2,12,15,16)
InChIKeyRJSQVBAZNGJIML-UHFFFAOYSA-N
MW324.14 g/mol
LogP0.17
Rot. Bonds2

About 2-(6-amino-5-bromo-2-pyrazol-1-ylpyrimidin-4-yl)-3,4-dihydropyrazol-4-ol

2-(6-amino-5-bromo-2-pyrazol-1-ylpyrimidin-4-yl)-3,4-dihydropyrazol-4-ol (PubChem CID 166656160) has the molecular formula C10H10BrN7O and a molecular weight of 324.14 g/mol. Its IUPAC name is 2-(6-amino-5-bromo-2-pyrazol-1-ylpyrimidin-4-yl)-3,4-dihydropyrazol-4-ol.

Molecular Properties

Compound Name2-(6-amino-5-bromo-2-pyrazol-1-ylpyrimidin-4-yl)-3,4-dihydropyrazol-4-ol
PubChem CID166656160
Molecular FormulaC10H10BrN7O
Molecular Weight324.14 g/mol
Exact Mass323.01
IUPAC Name2-(6-amino-5-bromo-2-pyrazol-1-ylpyrimidin-4-yl)-3,4-dihydropyrazol-4-ol
SMILESNc1nc(-n2cccn2)nc(N2CC(O)C=N2)c1Br
InChIInChI=1S/C10H10BrN7O/c11-7-8(12)15-10(17-3-1-2-13-17)16-9(7)18-5-6(19)4-14-18/h1-4,6,19H,5H2,(H2,12,15,16)
InChIKeyRJSQVBAZNGJIML-UHFFFAOYSA-N
XLogP0.17
TPSA105.45 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.14
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

[1-(4-amino-5-bromo-6-pyrazol-1-ylpyrimidin-2-yl)pyrazol-4-yl]boronic acid
CID 142411417
5-bromo-2-(4-methylpyrazol-1-yl)-6-pyrazol-1-ylpyrimidin-4-amine
CID 53468045
5-bromo-6-propan-2-yl-2-pyrazol-1-ylpyrimidin-4-amine
CID 53466957
6-[amino(methyl)amino]-5-bromo-2-pyrazol-1-ylpyrimidin-4-amine
CID 123979081
5-bromo-6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-2-pyrazol-1-ylpyrimidin-4-amine;5-bromo-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-pyrazol-1-ylpyrimidin-4-amine
CID 67449284
5-bromo-2-(3,5-dimethylpyrazol-1-yl)-6-pyrazol-1-ylpyrimidin-4-amine
CID 53468667
5-bromo-2-pyrazol-1-yl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]pyrimidin-4-amine
CID 142411419
5-bromo-6-propan-2-yloxy-2-pyrazol-1-ylpyrimidin-4-amine;5-bromo-2-pyrazol-1-yl-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine
CID 158700363
1-(4-amino-6-pyrazol-1-yl-1,3,5-triazin-2-yl)piperidin-4-ol
CID 80764921
5-bromo-4-N-prop-2-ynyl-2-pyrazol-1-ylpyrimidine-4,6-diamine
CID 53467622
4-N-[(Z)-3-aminobut-1-enyl]-5-bromo-4-N-methyl-2-pyrazol-1-ylpyrimidine-4,6-diamine
CID 146429736
(2R,3R,5R)-2-(6-amino-2-pyrazol-1-ylpurin-9-yl)-5-(hydroxymethyl)oxolane-2,3-diol
CID 173133345

Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-5-bromo-2-pyrazol-1-ylpyrimidin-4-yl)-3,4-dihydropyrazol-4-ol?
The IUPAC name of 2-(6-amino-5-bromo-2-pyrazol-1-ylpyrimidin-4-yl)-3,4-dihydropyrazol-4-ol (CID 166656160) is 2-(6-amino-5-bromo-2-pyrazol-1-ylpyrimidin-4-yl)-3,4-dihydropyrazol-4-ol.
What is the SMILES notation for 2-(6-amino-5-bromo-2-pyrazol-1-ylpyrimidin-4-yl)-3,4-dihydropyrazol-4-ol?
The canonical SMILES for 2-(6-amino-5-bromo-2-pyrazol-1-ylpyrimidin-4-yl)-3,4-dihydropyrazol-4-ol is Nc1nc(-n2cccn2)nc(N2CC(O)C=N2)c1Br.
What is the InChIKey of 2-(6-amino-5-bromo-2-pyrazol-1-ylpyrimidin-4-yl)-3,4-dihydropyrazol-4-ol?
The InChIKey is RJSQVBAZNGJIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN7O/c11-7-8(12)15-10(17-3-1-2-13-17)16-9(7)18-5-6(19)4-14-18/h1-4,6,19H,5H2,(H2,12,15,16).
What are the key properties of 2-(6-amino-5-bromo-2-pyrazol-1-ylpyrimidin-4-yl)-3,4-dihydropyrazol-4-ol?
2-(6-amino-5-bromo-2-pyrazol-1-ylpyrimidin-4-yl)-3,4-dihydropyrazol-4-ol has a molecular weight of 324.14 g/mol, XLogP of 0.17, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-amino-5-bromo-2-pyrazol-1-ylpyrimidin-4-yl)-3,4-dihydropyrazol-4-ol is sourced from PubChem (CID 166656160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).