N',N'-dimethyl-N-(2,5,6-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine

C13H21N5 — CID 118870771

IUPACN',N'-dimethyl-N-(2,5,6-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine
SMILESCc1cc2nc(C)c(C)c(NCCN(C)C)n2n1
InChIInChI=1S/C13H21N5/c1-9-8-12-15-11(3)10(2)13(18(12)16-9)14-6-7-17(4)5/h8,14H,6-7H2,1-5H3
InChIKeyIPBARIQPRZFMJE-UHFFFAOYSA-N
MW247.35 g/mol
LogP1.63
Rot. Bonds4

About N',N'-dimethyl-N-(2,5,6-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine

N',N'-dimethyl-N-(2,5,6-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine (PubChem CID 118870771) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is N',N'-dimethyl-N-(2,5,6-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-(2,5,6-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine
PubChem CID118870771
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC NameN',N'-dimethyl-N-(2,5,6-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine
SMILESCc1cc2nc(C)c(C)c(NCCN(C)C)n2n1
InChIInChI=1S/C13H21N5/c1-9-8-12-15-11(3)10(2)13(18(12)16-9)14-6-7-17(4)5/h8,14H,6-7H2,1-5H3
InChIKeyIPBARIQPRZFMJE-UHFFFAOYSA-N
XLogP1.63
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-(2,5,6-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-(2,5,6-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine (CID 118870771) is N',N'-dimethyl-N-(2,5,6-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-(2,5,6-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-(2,5,6-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine is Cc1cc2nc(C)c(C)c(NCCN(C)C)n2n1.
What is the InChIKey of N',N'-dimethyl-N-(2,5,6-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine?
The InChIKey is IPBARIQPRZFMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5/c1-9-8-12-15-11(3)10(2)13(18(12)16-9)14-6-7-17(4)5/h8,14H,6-7H2,1-5H3.
What are the key properties of N',N'-dimethyl-N-(2,5,6-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine?
N',N'-dimethyl-N-(2,5,6-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine has a molecular weight of 247.35 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-(2,5,6-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine is sourced from PubChem (CID 118870771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).