ethyl 4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazine-1-carboxylate

C13H18N6O2 — CID 6852056

IUPACethyl 4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2ncnc3c2cnn3C)CC1
InChIInChI=1S/C13H18N6O2/c1-3-21-13(20)19-6-4-18(5-7-19)12-10-8-16-17(2)11(10)14-9-15-12/h8-9H,3-7H2,1-2H3
InChIKeyGTOUOKRFUGOXGH-UHFFFAOYSA-N
MW290.33 g/mol
LogP0.64
Rot. Bonds2

About ethyl 4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazine-1-carboxylate

ethyl 4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazine-1-carboxylate (PubChem CID 6852056) has the molecular formula C13H18N6O2 and a molecular weight of 290.33 g/mol. Its IUPAC name is ethyl 4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazine-1-carboxylate
PubChem CID6852056
Molecular FormulaC13H18N6O2
Molecular Weight290.33 g/mol
Exact Mass290.15
IUPAC Nameethyl 4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2ncnc3c2cnn3C)CC1
InChIInChI=1S/C13H18N6O2/c1-3-21-13(20)19-6-4-18(5-7-19)12-10-8-16-17(2)11(10)14-9-15-12/h8-9H,3-7H2,1-2H3
InChIKeyGTOUOKRFUGOXGH-UHFFFAOYSA-N
XLogP0.64
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazine-1-carboxylate (CID 6852056) is ethyl 4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazine-1-carboxylate is CCOC(=O)N1CCN(c2ncnc3c2cnn3C)CC1.
What is the InChIKey of ethyl 4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazine-1-carboxylate?
The InChIKey is GTOUOKRFUGOXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O2/c1-3-21-13(20)19-6-4-18(5-7-19)12-10-8-16-17(2)11(10)14-9-15-12/h8-9H,3-7H2,1-2H3.
What are the key properties of ethyl 4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazine-1-carboxylate?
ethyl 4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazine-1-carboxylate has a molecular weight of 290.33 g/mol, XLogP of 0.64, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazine-1-carboxylate is sourced from PubChem (CID 6852056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).