4-(4-methyl-1,4-diazepan-1-yl)-1H-pyrazolo[5,4-d]pyrimidine

C11H16N6 — CID 16627028

IUPAC4-(4-methyl-1,4-diazepan-1-yl)-1H-pyrazolo[5,4-d]pyrimidine
SMILESCN1CCCN(c2ncnc3[nH]ncc23)CC1
InChIInChI=1S/C11H16N6/c1-16-3-2-4-17(6-5-16)11-9-7-14-15-10(9)12-8-13-11/h7-8H,2-6H2,1H3,(H,12,13,14,15)
InChIKeyVWEJPBYRPDZKPO-UHFFFAOYSA-N
MW232.29 g/mol
LogP0.49
Rot. Bonds1

About 4-(4-methyl-1,4-diazepan-1-yl)-1H-pyrazolo[5,4-d]pyrimidine

4-(4-methyl-1,4-diazepan-1-yl)-1H-pyrazolo[5,4-d]pyrimidine (PubChem CID 16627028) has the molecular formula C11H16N6 and a molecular weight of 232.29 g/mol. Its IUPAC name is 4-(4-methyl-1,4-diazepan-1-yl)-1H-pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-(4-methyl-1,4-diazepan-1-yl)-1H-pyrazolo[5,4-d]pyrimidine
PubChem CID16627028
Molecular FormulaC11H16N6
Molecular Weight232.29 g/mol
Exact Mass232.14
IUPAC Name4-(4-methyl-1,4-diazepan-1-yl)-1H-pyrazolo[5,4-d]pyrimidine
SMILESCN1CCCN(c2ncnc3[nH]ncc23)CC1
InChIInChI=1S/C11H16N6/c1-16-3-2-4-17(6-5-16)11-9-7-14-15-10(9)12-8-13-11/h7-8H,2-6H2,1H3,(H,12,13,14,15)
InChIKeyVWEJPBYRPDZKPO-UHFFFAOYSA-N
XLogP0.49
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-1,4-diazepan-1-yl)-1H-pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4-(4-methyl-1,4-diazepan-1-yl)-1H-pyrazolo[5,4-d]pyrimidine (CID 16627028) is 4-(4-methyl-1,4-diazepan-1-yl)-1H-pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-(4-methyl-1,4-diazepan-1-yl)-1H-pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-(4-methyl-1,4-diazepan-1-yl)-1H-pyrazolo[5,4-d]pyrimidine is CN1CCCN(c2ncnc3[nH]ncc23)CC1.
What is the InChIKey of 4-(4-methyl-1,4-diazepan-1-yl)-1H-pyrazolo[5,4-d]pyrimidine?
The InChIKey is VWEJPBYRPDZKPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6/c1-16-3-2-4-17(6-5-16)11-9-7-14-15-10(9)12-8-13-11/h7-8H,2-6H2,1H3,(H,12,13,14,15).
What are the key properties of 4-(4-methyl-1,4-diazepan-1-yl)-1H-pyrazolo[5,4-d]pyrimidine?
4-(4-methyl-1,4-diazepan-1-yl)-1H-pyrazolo[5,4-d]pyrimidine has a molecular weight of 232.29 g/mol, XLogP of 0.49, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-1,4-diazepan-1-yl)-1H-pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 16627028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).