1-[4-(2-aminopyrimidin-5-yl)-6-chloropyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropan-2-ol;bis(1-[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropan-2-ol);1-chloro-2-methylpropan-2-ol;1-(4,6-dichloropyrazolo[5,4-d]pyrimidin-1-yl)-2-methylpropan-2-ol;hydrazine;1-hydrazinyl-2-methylpropan-2-ol;hydrochloride

C64H94Cl5N31O8 — CID 159310620

IUPAC1-[4-(2-aminopyrimidin-5-yl)-6-chloropyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropan-2-ol;bis(1-[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropan-2-ol);1-chloro-2-methylpropan-2-ol;1-(4,6-dichloropyrazolo[5,4-d]pyrimidin-1-yl)-2-methylpropan-2-ol;hydrazine;1-hydrazinyl-2-methylpropan-2-ol;hydrochloride
SMILESCC(C)(O)CCl.CC(C)(O)CNN.CC(C)(O)Cn1ncc2c(-c3cnc(N)nc3)nc(Cl)nc21.CC(C)(O)Cn1ncc2c(-c3cnc(N)nc3)nc(N3CCOCC3)nc21.CC(C)(O)Cn1ncc2c(-c3cnc(N)nc3)nc(N3CCOCC3)nc21.CC(C)(O)Cn1ncc2c(Cl)nc(Cl)nc21.Cl.NN
InChIInChI=1S/2C17H22N8O2.C13H14ClN7O.C9H10Cl2N4O.C4H9ClO.C4H12N2O.ClH.H4N2/c2*1-17(2,26)10-25-14-12(9-21-25)13(11-7-19-15(18)20-8-11)22-16(23-14)24-3-5-27-6-4-24;1-13(2,22)6-21-10-8(5-18-21)9(19-11(14)20-10)7-3-16-12(15)17-4-7;1-9(2,16)4-15-7-5(3-12-15)6(10)13-8(11)14-7;1-4(2,6)3-5;1-4(2,7)3-6-5;;1-2/h2*7-9,26H,3-6,10H2,1-2H3,(H2,18,19,20);3-5,22H,6H2,1-2H3,(H2,15,16,17);3,16H,4H2,1-2H3;6H,3H2,1-2H3;6-7H,3,5H2,1-2H3;1H;1-2H2
InChIKeyHMTJEMLCLVTFTA-UHFFFAOYSA-N
MW1602.93 g/mol
LogP3.60
Rot. Bonds16

About 1-[4-(2-aminopyrimidin-5-yl)-6-chloropyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropan-2-ol;bis(1-[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropan-2-ol);1-chloro-2-methylpropan-2-ol;1-(4,6-dichloropyrazolo[5,4-d]pyrimidin-1-yl)-2-methylpropan-2-ol;hydrazine;1-hydrazinyl-2-methylpropan-2-ol;hydrochloride

1-[4-(2-aminopyrimidin-5-yl)-6-chloropyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropan-2-ol;bis(1-[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropan-2-ol);1-chloro-2-methylpropan-2-ol;1-(4,6-dichloropyrazolo[5,4-d]pyrimidin-1-yl)-2-methylpropan-2-ol;hydrazine;1-hydrazinyl-2-methylpropan-2-ol;hydrochloride (PubChem CID 159310620) has the molecular formula C64H94Cl5N31O8 and a molecular weight of 1602.93 g/mol. Its IUPAC name is 1-[4-(2-aminopyrimidin-5-yl)-6-chloropyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropan-2-ol;bis(1-[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropan-2-ol);1-chloro-2-methylpropan-2-ol;1-(4,6-dichloropyrazolo[5,4-d]pyrimidin-1-yl)-2-methylpropan-2-ol;hydrazine;1-hydrazinyl-2-methylpropan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-[4-(2-aminopyrimidin-5-yl)-6-chloropyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropan-2-ol;bis(1-[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropan-2-ol);1-chloro-2-methylpropan-2-ol;1-(4,6-dichloropyrazolo[5,4-d]pyrimidin-1-yl)-2-methylpropan-2-ol;hydrazine;1-hydrazinyl-2-methylpropan-2-ol;hydrochloride
PubChem CID159310620
Molecular FormulaC64H94Cl5N31O8
Molecular Weight1602.93 g/mol
Exact Mass1599.63
IUPAC Name1-[4-(2-aminopyrimidin-5-yl)-6-chloropyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropan-2-ol;bis(1-[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropan-2-ol);1-chloro-2-methylpropan-2-ol;1-(4,6-dichloropyrazolo[5,4-d]pyrimidin-1-yl)-2-methylpropan-2-ol;hydrazine;1-hydrazinyl-2-methylpropan-2-ol;hydrochloride
SMILESCC(C)(O)CCl.CC(C)(O)CNN.CC(C)(O)Cn1ncc2c(-c3cnc(N)nc3)nc(Cl)nc21.CC(C)(O)Cn1ncc2c(-c3cnc(N)nc3)nc(N3CCOCC3)nc21.CC(C)(O)Cn1ncc2c(-c3cnc(N)nc3)nc(N3CCOCC3)nc21.CC(C)(O)Cn1ncc2c(Cl)nc(Cl)nc21.Cl.NN
InChIInChI=1S/2C17H22N8O2.C13H14ClN7O.C9H10Cl2N4O.C4H9ClO.C4H12N2O.ClH.H4N2/c2*1-17(2,26)10-25-14-12(9-21-25)13(11-7-19-15(18)20-8-11)22-16(23-14)24-3-5-27-6-4-24;1-13(2,22)6-21-10-8(5-18-21)9(19-11(14)20-10)7-3-16-12(15)17-4-7;1-9(2,16)4-15-7-5(3-12-15)6(10)13-8(11)14-7;1-4(2,6)3-5;1-4(2,7)3-6-5;;1-2/h2*7-9,26H,3-6,10H2,1-2H3,(H2,18,19,20);3-5,22H,6H2,1-2H3,(H2,15,16,17);3,16H,4H2,1-2H3;6H,3H2,1-2H3;6-7H,3,5H2,1-2H3;1H;1-2H2
InChIKeyHMTJEMLCLVTFTA-UHFFFAOYSA-N
XLogP3.60
TPSA566.21 Ų
H-Bond Donors13
H-Bond Acceptors39
Rotatable Bonds16
Heavy Atoms108
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001602.93
LogP ≤ 53.60
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1039

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[4-(2-aminopyrimidin-5-yl)-6-chloropyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropan-2-ol;bis(1-[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropan-2-ol);1-chloro-2-methylpropan-2-ol;1-(4,6-dichloropyrazolo[5,4-d]pyrimidin-1-yl)-2-methylpropan-2-ol;hydrazine;1-hydrazinyl-2-methylpropan-2-ol;hydrochloride with MolForge

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Related Compounds

(2R)-2-[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl]propan-1-ol;(2S)-2-[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl]propan-1-ol;5-(1-butan-2-yl-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)pyrimidin-2-amine
CID 159335563
[4-[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 46202140
9-butan-2-yl-2,6-dichloropurine;5-(9-butan-2-yl-2-morpholin-4-ylpurin-6-yl)pyridin-2-amine
CID 158100431
2-[4-(2-aminopyrimidin-5-yl)-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazolo[3,4-d]pyrimidin-1-yl]ethanol
CID 58514296
benzyl 4-[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate
CID 58514323
bis([4-[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-pyridin-3-ylmethanone);5-(6-morpholin-4-yl-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)pyrimidin-2-amine;pyridine-3-carboxylic acid;hydrochloride
CID 159616793
5-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)pyrimidin-2-amine
CID 70224122
4,6-dichloro-1-(2,2,2-trifluoroethyl)pyrazolo[5,4-d]pyrimidine
CID 86069450
5-[7-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine
CID 59628469
6-(2-aminopyrimidin-5-yl)-9-butan-2-yl-2-morpholin-4-yl-N-propan-2-ylpurin-8-amine
CID 46937823
5-(9-benzyl-2-morpholin-4-ylpurin-6-yl)pyrimidin-2-amine
CID 59588823
5-[2-morpholin-4-yl-9-(2-piperazin-1-ylethyl)purin-6-yl]pyrimidin-2-amine
CID 58285250

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-aminopyrimidin-5-yl)-6-chloropyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropan-2-ol;bis(1-[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropan-2-ol);1-chloro-2-methylpropan-2-ol;1-(4,6-dichloropyrazolo[5,4-d]pyrimidin-1-yl)-2-methylpropan-2-ol;hydrazine;1-hydrazinyl-2-methylpropan-2-ol;hydrochloride?
The IUPAC name of 1-[4-(2-aminopyrimidin-5-yl)-6-chloropyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropan-2-ol;bis(1-[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropan-2-ol);1-chloro-2-methylpropan-2-ol;1-(4,6-dichloropyrazolo[5,4-d]pyrimidin-1-yl)-2-methylpropan-2-ol;hydrazine;1-hydrazinyl-2-methylpropan-2-ol;hydrochloride (CID 159310620) is 1-[4-(2-aminopyrimidin-5-yl)-6-chloropyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropan-2-ol;bis(1-[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropan-2-ol);1-chloro-2-methylpropan-2-ol;1-(4,6-dichloropyrazolo[5,4-d]pyrimidin-1-yl)-2-methylpropan-2-ol;hydrazine;1-hydrazinyl-2-methylpropan-2-ol;hydrochloride.
What is the SMILES notation for 1-[4-(2-aminopyrimidin-5-yl)-6-chloropyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropan-2-ol;bis(1-[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropan-2-ol);1-chloro-2-methylpropan-2-ol;1-(4,6-dichloropyrazolo[5,4-d]pyrimidin-1-yl)-2-methylpropan-2-ol;hydrazine;1-hydrazinyl-2-methylpropan-2-ol;hydrochloride?
The canonical SMILES for 1-[4-(2-aminopyrimidin-5-yl)-6-chloropyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropan-2-ol;bis(1-[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropan-2-ol);1-chloro-2-methylpropan-2-ol;1-(4,6-dichloropyrazolo[5,4-d]pyrimidin-1-yl)-2-methylpropan-2-ol;hydrazine;1-hydrazinyl-2-methylpropan-2-ol;hydrochloride is CC(C)(O)CCl.CC(C)(O)CNN.CC(C)(O)Cn1ncc2c(-c3cnc(N)nc3)nc(Cl)nc21.CC(C)(O)Cn1ncc2c(-c3cnc(N)nc3)nc(N3CCOCC3)nc21.CC(C)(O)Cn1ncc2c(-c3cnc(N)nc3)nc(N3CCOCC3)nc21.CC(C)(O)Cn1ncc2c(Cl)nc(Cl)nc21.Cl.NN.
What is the InChIKey of 1-[4-(2-aminopyrimidin-5-yl)-6-chloropyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropan-2-ol;bis(1-[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropan-2-ol);1-chloro-2-methylpropan-2-ol;1-(4,6-dichloropyrazolo[5,4-d]pyrimidin-1-yl)-2-methylpropan-2-ol;hydrazine;1-hydrazinyl-2-methylpropan-2-ol;hydrochloride?
The InChIKey is HMTJEMLCLVTFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H22N8O2.C13H14ClN7O.C9H10Cl2N4O.C4H9ClO.C4H12N2O.ClH.H4N2/c2*1-17(2,26)10-25-14-12(9-21-25)13(11-7-19-15(18)20-8-11)22-16(23-14)24-3-5-27-6-4-24;1-13(2,22)6-21-10-8(5-18-21)9(19-11(14)20-10)7-3-16-12(15)17-4-7;1-9(2,16)4-15-7-5(3-12-15)6(10)13-8(11)14-7;1-4(2,6)3-5;1-4(2,7)3-6-5;;1-2/h2*7-9,26H,3-6,10H2,1-2H3,(H2,18,19,20);3-5,22H,6H2,1-2H3,(H2,15,16,17);3,16H,4H2,1-2H3;6H,3H2,1-2H3;6-7H,3,5H2,1-2H3;1H;1-2H2.
What are the key properties of 1-[4-(2-aminopyrimidin-5-yl)-6-chloropyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropan-2-ol;bis(1-[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropan-2-ol);1-chloro-2-methylpropan-2-ol;1-(4,6-dichloropyrazolo[5,4-d]pyrimidin-1-yl)-2-methylpropan-2-ol;hydrazine;1-hydrazinyl-2-methylpropan-2-ol;hydrochloride?
1-[4-(2-aminopyrimidin-5-yl)-6-chloropyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropan-2-ol;bis(1-[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropan-2-ol);1-chloro-2-methylpropan-2-ol;1-(4,6-dichloropyrazolo[5,4-d]pyrimidin-1-yl)-2-methylpropan-2-ol;hydrazine;1-hydrazinyl-2-methylpropan-2-ol;hydrochloride has a molecular weight of 1602.93 g/mol, XLogP of 3.60, 16 rotatable bonds, 13 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-aminopyrimidin-5-yl)-6-chloropyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropan-2-ol;bis(1-[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropan-2-ol);1-chloro-2-methylpropan-2-ol;1-(4,6-dichloropyrazolo[5,4-d]pyrimidin-1-yl)-2-methylpropan-2-ol;hydrazine;1-hydrazinyl-2-methylpropan-2-ol;hydrochloride is sourced from PubChem (CID 159310620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).