N',N'-dimethyl-N-(5-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine

C15H19N5S — CID 650010

IUPACN',N'-dimethyl-N-(5-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine
SMILESCc1cc(NCCN(C)C)n2nc(-c3cccs3)cc2n1
InChIInChI=1S/C15H19N5S/c1-11-9-14(16-6-7-19(2)3)20-15(17-11)10-12(18-20)13-5-4-8-21-13/h4-5,8-10,16H,6-7H2,1-3H3
InChIKeyVUWFMNIAVRCQHW-UHFFFAOYSA-N
MW301.42 g/mol
LogP2.74
Rot. Bonds5

About N',N'-dimethyl-N-(5-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine

N',N'-dimethyl-N-(5-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine (PubChem CID 650010) has the molecular formula C15H19N5S and a molecular weight of 301.42 g/mol. Its IUPAC name is N',N'-dimethyl-N-(5-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-(5-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine
PubChem CID650010
Molecular FormulaC15H19N5S
Molecular Weight301.42 g/mol
Exact Mass301.14
IUPAC NameN',N'-dimethyl-N-(5-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine
SMILESCc1cc(NCCN(C)C)n2nc(-c3cccs3)cc2n1
InChIInChI=1S/C15H19N5S/c1-11-9-14(16-6-7-19(2)3)20-15(17-11)10-12(18-20)13-5-4-8-21-13/h4-5,8-10,16H,6-7H2,1-3H3
InChIKeyVUWFMNIAVRCQHW-UHFFFAOYSA-N
XLogP2.74
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-(5-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-(5-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine (CID 650010) is N',N'-dimethyl-N-(5-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-(5-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-(5-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine is Cc1cc(NCCN(C)C)n2nc(-c3cccs3)cc2n1.
What is the InChIKey of N',N'-dimethyl-N-(5-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine?
The InChIKey is VUWFMNIAVRCQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5S/c1-11-9-14(16-6-7-19(2)3)20-15(17-11)10-12(18-20)13-5-4-8-21-13/h4-5,8-10,16H,6-7H2,1-3H3.
What are the key properties of N',N'-dimethyl-N-(5-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine?
N',N'-dimethyl-N-(5-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine has a molecular weight of 301.42 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-(5-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine is sourced from PubChem (CID 650010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).