N'-benzyl-N'-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)ethane-1,2-diamine

C15H18N6 — CID 61013957

IUPACN'-benzyl-N'-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)ethane-1,2-diamine
SMILESCn1ncc2c(N(CCN)Cc3ccccc3)ncnc21
InChIInChI=1S/C15H18N6/c1-20-14-13(9-19-20)15(18-11-17-14)21(8-7-16)10-12-5-3-2-4-6-12/h2-6,9,11H,7-8,10,16H2,1H3
InChIKeyLSRALYYQQLDOBH-UHFFFAOYSA-N
MW282.35 g/mol
LogP1.33
Rot. Bonds5

About N'-benzyl-N'-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)ethane-1,2-diamine

N'-benzyl-N'-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)ethane-1,2-diamine (PubChem CID 61013957) has the molecular formula C15H18N6 and a molecular weight of 282.35 g/mol. Its IUPAC name is N'-benzyl-N'-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-benzyl-N'-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)ethane-1,2-diamine
PubChem CID61013957
Molecular FormulaC15H18N6
Molecular Weight282.35 g/mol
Exact Mass282.16
IUPAC NameN'-benzyl-N'-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)ethane-1,2-diamine
SMILESCn1ncc2c(N(CCN)Cc3ccccc3)ncnc21
InChIInChI=1S/C15H18N6/c1-20-14-13(9-19-20)15(18-11-17-14)21(8-7-16)10-12-5-3-2-4-6-12/h2-6,9,11H,7-8,10,16H2,1H3
InChIKeyLSRALYYQQLDOBH-UHFFFAOYSA-N
XLogP1.33
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N'-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)ethane-1,2-diamine?
The IUPAC name of N'-benzyl-N'-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)ethane-1,2-diamine (CID 61013957) is N'-benzyl-N'-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-benzyl-N'-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)ethane-1,2-diamine?
The canonical SMILES for N'-benzyl-N'-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)ethane-1,2-diamine is Cn1ncc2c(N(CCN)Cc3ccccc3)ncnc21.
What is the InChIKey of N'-benzyl-N'-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)ethane-1,2-diamine?
The InChIKey is LSRALYYQQLDOBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6/c1-20-14-13(9-19-20)15(18-11-17-14)21(8-7-16)10-12-5-3-2-4-6-12/h2-6,9,11H,7-8,10,16H2,1H3.
What are the key properties of N'-benzyl-N'-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)ethane-1,2-diamine?
N'-benzyl-N'-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)ethane-1,2-diamine has a molecular weight of 282.35 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N'-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 61013957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).