tert-butyl 4-(6-amino-1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-3-methylpiperazine-1-carboxylate

C17H27N7O2 — CID 91825799

IUPACtert-butyl 4-(6-amino-1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-3-methylpiperazine-1-carboxylate
SMILESCc1nn(C)c2nc(N)nc(N3CCN(C(=O)OC(C)(C)C)CC3C)c12
InChIInChI=1S/C17H27N7O2/c1-10-9-23(16(25)26-17(3,4)5)7-8-24(10)14-12-11(2)21-22(6)13(12)19-15(18)20-14/h10H,7-9H2,1-6H3,(H2,18,19,20)
InChIKeyGSZCWZVSAVPVOW-UHFFFAOYSA-N
MW361.45 g/mol
LogP1.70
Rot. Bonds1

About tert-butyl 4-(6-amino-1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-3-methylpiperazine-1-carboxylate

tert-butyl 4-(6-amino-1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-3-methylpiperazine-1-carboxylate (PubChem CID 91825799) has the molecular formula C17H27N7O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is tert-butyl 4-(6-amino-1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-3-methylpiperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(6-amino-1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-3-methylpiperazine-1-carboxylate
PubChem CID91825799
Molecular FormulaC17H27N7O2
Molecular Weight361.45 g/mol
Exact Mass361.22
IUPAC Nametert-butyl 4-(6-amino-1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-3-methylpiperazine-1-carboxylate
SMILESCc1nn(C)c2nc(N)nc(N3CCN(C(=O)OC(C)(C)C)CC3C)c12
InChIInChI=1S/C17H27N7O2/c1-10-9-23(16(25)26-17(3,4)5)7-8-24(10)14-12-11(2)21-22(6)13(12)19-15(18)20-14/h10H,7-9H2,1-6H3,(H2,18,19,20)
InChIKeyGSZCWZVSAVPVOW-UHFFFAOYSA-N
XLogP1.70
TPSA102.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze tert-butyl 4-(6-amino-1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-3-methylpiperazine-1-carboxylate with MolForge

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Related Compounds

tert-butyl (3S)-4-(2-amino-6-chloropyrimidin-4-yl)-3-methylpiperazine-1-carboxylate
CID 141408813
tert-butyl 4-(4-amino-1-methylpyrazol-5-yl)-3-methylpiperazine-1-carboxylate
CID 89456401
tert-butyl (3S)-4-(6-amino-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-3-ethylpiperazine-1-carboxylate
CID 140731421
ethyl 4-methyl-6-[(2S)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-methylsulfanylpyrimidine-5-carboxylate
CID 168654694
tert-butyl 4-(4-aminophenyl)-3-methylpiperazine-1-carboxylate
CID 22633057
tert-butyl 3-methyl-4-(4-methylphenyl)piperazine-1-carboxylate
CID 59853726
tert-butyl (3S)-3-methyl-4-pyrimidin-2-ylpiperazine-1-carboxylate
CID 95247753
tert-butyl 4-(3,5-dichlorophenyl)-3-methylpiperazine-1-carboxylate
CID 166075296
tert-butyl (3S)-4-(6-bromo-3-methoxy-2-pyridinyl)-3-methylpiperazine-1-carboxylate
CID 118555234
tert-butyl 4-(5-chloro-2,3-dimethylimidazo[4,5-b]pyridin-7-yl)-3-methylpiperazine-1-carboxylate
CID 177060297
tert-butyl 4-[6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazine-1-carboxylate
CID 46533052
tert-butyl 4-[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]piperidine-1-carboxylate
CID 52731159

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(6-amino-1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-3-methylpiperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(6-amino-1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-3-methylpiperazine-1-carboxylate (CID 91825799) is tert-butyl 4-(6-amino-1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-3-methylpiperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(6-amino-1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-3-methylpiperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(6-amino-1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-3-methylpiperazine-1-carboxylate is Cc1nn(C)c2nc(N)nc(N3CCN(C(=O)OC(C)(C)C)CC3C)c12.
What is the InChIKey of tert-butyl 4-(6-amino-1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-3-methylpiperazine-1-carboxylate?
The InChIKey is GSZCWZVSAVPVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N7O2/c1-10-9-23(16(25)26-17(3,4)5)7-8-24(10)14-12-11(2)21-22(6)13(12)19-15(18)20-14/h10H,7-9H2,1-6H3,(H2,18,19,20).
What are the key properties of tert-butyl 4-(6-amino-1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-3-methylpiperazine-1-carboxylate?
tert-butyl 4-(6-amino-1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-3-methylpiperazine-1-carboxylate has a molecular weight of 361.45 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(6-amino-1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-3-methylpiperazine-1-carboxylate is sourced from PubChem (CID 91825799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).