N',N'-diethyl-N-(1,3,6-trimethylpyrazolo[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine

C14H24N6 — CID 70716744

IUPACN',N'-diethyl-N-(1,3,6-trimethylpyrazolo[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine
SMILESCCN(CC)CCNc1nc(C)nc2c1c(C)nn2C
InChIInChI=1S/C14H24N6/c1-6-20(7-2)9-8-15-13-12-10(3)18-19(5)14(12)17-11(4)16-13/h6-9H2,1-5H3,(H,15,16,17)
InChIKeyPDOSMYTZIGOKOA-UHFFFAOYSA-N
MW276.39 g/mol
LogP1.73
Rot. Bonds6

About N',N'-diethyl-N-(1,3,6-trimethylpyrazolo[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine

N',N'-diethyl-N-(1,3,6-trimethylpyrazolo[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine (PubChem CID 70716744) has the molecular formula C14H24N6 and a molecular weight of 276.39 g/mol. Its IUPAC name is N',N'-diethyl-N-(1,3,6-trimethylpyrazolo[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-(1,3,6-trimethylpyrazolo[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine
PubChem CID70716744
Molecular FormulaC14H24N6
Molecular Weight276.39 g/mol
Exact Mass276.21
IUPAC NameN',N'-diethyl-N-(1,3,6-trimethylpyrazolo[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine
SMILESCCN(CC)CCNc1nc(C)nc2c1c(C)nn2C
InChIInChI=1S/C14H24N6/c1-6-20(7-2)9-8-15-13-12-10(3)18-19(5)14(12)17-11(4)16-13/h6-9H2,1-5H3,(H,15,16,17)
InChIKeyPDOSMYTZIGOKOA-UHFFFAOYSA-N
XLogP1.73
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.39
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-(1,3,6-trimethylpyrazolo[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine?
The IUPAC name of N',N'-diethyl-N-(1,3,6-trimethylpyrazolo[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine (CID 70716744) is N',N'-diethyl-N-(1,3,6-trimethylpyrazolo[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N',N'-diethyl-N-(1,3,6-trimethylpyrazolo[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine?
The canonical SMILES for N',N'-diethyl-N-(1,3,6-trimethylpyrazolo[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine is CCN(CC)CCNc1nc(C)nc2c1c(C)nn2C.
What is the InChIKey of N',N'-diethyl-N-(1,3,6-trimethylpyrazolo[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine?
The InChIKey is PDOSMYTZIGOKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N6/c1-6-20(7-2)9-8-15-13-12-10(3)18-19(5)14(12)17-11(4)16-13/h6-9H2,1-5H3,(H,15,16,17).
What are the key properties of N',N'-diethyl-N-(1,3,6-trimethylpyrazolo[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine?
N',N'-diethyl-N-(1,3,6-trimethylpyrazolo[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine has a molecular weight of 276.39 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-(1,3,6-trimethylpyrazolo[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 70716744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).