2-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]-N,N-dimethylacetamide

C14H21N5O — CID 43310816

IUPAC2-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]-N,N-dimethylacetamide
SMILESCc1cc2ncc(C(C)NCC(=O)N(C)C)c(C)n2n1
InChIInChI=1S/C14H21N5O/c1-9-6-13-16-7-12(11(3)19(13)17-9)10(2)15-8-14(20)18(4)5/h6-7,10,15H,8H2,1-5H3
InChIKeyREGHEBSNBDVVRG-UHFFFAOYSA-N
MW275.36 g/mol
LogP1.08
Rot. Bonds4

About 2-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]-N,N-dimethylacetamide

2-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]-N,N-dimethylacetamide (PubChem CID 43310816) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 2-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]-N,N-dimethylacetamide
PubChem CID43310816
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name2-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]-N,N-dimethylacetamide
SMILESCc1cc2ncc(C(C)NCC(=O)N(C)C)c(C)n2n1
InChIInChI=1S/C14H21N5O/c1-9-6-13-16-7-12(11(3)19(13)17-9)10(2)15-8-14(20)18(4)5/h6-7,10,15H,8H2,1-5H3
InChIKeyREGHEBSNBDVVRG-UHFFFAOYSA-N
XLogP1.08
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]-N,N-dimethylacetamide (CID 43310816) is 2-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]-N,N-dimethylacetamide is Cc1cc2ncc(C(C)NCC(=O)N(C)C)c(C)n2n1.
What is the InChIKey of 2-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]-N,N-dimethylacetamide?
The InChIKey is REGHEBSNBDVVRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-9-6-13-16-7-12(11(3)19(13)17-9)10(2)15-8-14(20)18(4)5/h6-7,10,15H,8H2,1-5H3.
What are the key properties of 2-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]-N,N-dimethylacetamide?
2-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]-N,N-dimethylacetamide has a molecular weight of 275.36 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 43310816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).