N'-(5,6-dimethyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)-N,N,2,2-tetramethylpropane-1,3-diamine

C19H27N5S — CID 1441296

IUPACN'-(5,6-dimethyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)-N,N,2,2-tetramethylpropane-1,3-diamine
SMILESCc1nc2cc(-c3cccs3)nn2c(NCC(C)(C)CN(C)C)c1C
InChIInChI=1S/C19H27N5S/c1-13-14(2)21-17-10-15(16-8-7-9-25-16)22-24(17)18(13)20-11-19(3,4)12-23(5)6/h7-10,20H,11-12H2,1-6H3
InChIKeyUGODZDORNQOVFI-UHFFFAOYSA-N
MW357.53 g/mol
LogP4.07
Rot. Bonds6

About N'-(5,6-dimethyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)-N,N,2,2-tetramethylpropane-1,3-diamine

N'-(5,6-dimethyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)-N,N,2,2-tetramethylpropane-1,3-diamine (PubChem CID 1441296) has the molecular formula C19H27N5S and a molecular weight of 357.53 g/mol. Its IUPAC name is N'-(5,6-dimethyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)-N,N,2,2-tetramethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(5,6-dimethyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)-N,N,2,2-tetramethylpropane-1,3-diamine
PubChem CID1441296
Molecular FormulaC19H27N5S
Molecular Weight357.53 g/mol
Exact Mass357.20
IUPAC NameN'-(5,6-dimethyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)-N,N,2,2-tetramethylpropane-1,3-diamine
SMILESCc1nc2cc(-c3cccs3)nn2c(NCC(C)(C)CN(C)C)c1C
InChIInChI=1S/C19H27N5S/c1-13-14(2)21-17-10-15(16-8-7-9-25-16)22-24(17)18(13)20-11-19(3,4)12-23(5)6/h7-10,20H,11-12H2,1-6H3
InChIKeyUGODZDORNQOVFI-UHFFFAOYSA-N
XLogP4.07
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.53
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N'-(5,6-dimethyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)-N,N,2,2-tetramethylpropane-1,3-diamine?
The IUPAC name of N'-(5,6-dimethyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)-N,N,2,2-tetramethylpropane-1,3-diamine (CID 1441296) is N'-(5,6-dimethyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)-N,N,2,2-tetramethylpropane-1,3-diamine.
What is the SMILES notation for N'-(5,6-dimethyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)-N,N,2,2-tetramethylpropane-1,3-diamine?
The canonical SMILES for N'-(5,6-dimethyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)-N,N,2,2-tetramethylpropane-1,3-diamine is Cc1nc2cc(-c3cccs3)nn2c(NCC(C)(C)CN(C)C)c1C.
What is the InChIKey of N'-(5,6-dimethyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)-N,N,2,2-tetramethylpropane-1,3-diamine?
The InChIKey is UGODZDORNQOVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5S/c1-13-14(2)21-17-10-15(16-8-7-9-25-16)22-24(17)18(13)20-11-19(3,4)12-23(5)6/h7-10,20H,11-12H2,1-6H3.
What are the key properties of N'-(5,6-dimethyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)-N,N,2,2-tetramethylpropane-1,3-diamine?
N'-(5,6-dimethyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)-N,N,2,2-tetramethylpropane-1,3-diamine has a molecular weight of 357.53 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5,6-dimethyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)-N,N,2,2-tetramethylpropane-1,3-diamine is sourced from PubChem (CID 1441296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).