5-N,5-N-dimethylpyrazolo[1,5-a]pyrimidine-3,5-diamine

C8H11N5 — CID 58611206

IUPAC5-N,5-N-dimethylpyrazolo[1,5-a]pyrimidine-3,5-diamine
SMILESCN(C)c1ccn2ncc(N)c2n1
InChIInChI=1S/C8H11N5/c1-12(2)7-3-4-13-8(11-7)6(9)5-10-13/h3-5H,9H2,1-2H3
InChIKeyUDJSYOYGRVYMIC-UHFFFAOYSA-N
MW177.21 g/mol
LogP0.38
Rot. Bonds1

About 5-N,5-N-dimethylpyrazolo[1,5-a]pyrimidine-3,5-diamine

5-N,5-N-dimethylpyrazolo[1,5-a]pyrimidine-3,5-diamine (PubChem CID 58611206) has the molecular formula C8H11N5 and a molecular weight of 177.21 g/mol. Its IUPAC name is 5-N,5-N-dimethylpyrazolo[1,5-a]pyrimidine-3,5-diamine.

Molecular Properties

Compound Name5-N,5-N-dimethylpyrazolo[1,5-a]pyrimidine-3,5-diamine
PubChem CID58611206
Molecular FormulaC8H11N5
Molecular Weight177.21 g/mol
Exact Mass177.10
IUPAC Name5-N,5-N-dimethylpyrazolo[1,5-a]pyrimidine-3,5-diamine
SMILESCN(C)c1ccn2ncc(N)c2n1
InChIInChI=1S/C8H11N5/c1-12(2)7-3-4-13-8(11-7)6(9)5-10-13/h3-5H,9H2,1-2H3
InChIKeyUDJSYOYGRVYMIC-UHFFFAOYSA-N
XLogP0.38
TPSA59.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-N,5-N-dimethylpyrazolo[1,5-a]pyrimidine-3,5-diamine?
The IUPAC name of 5-N,5-N-dimethylpyrazolo[1,5-a]pyrimidine-3,5-diamine (CID 58611206) is 5-N,5-N-dimethylpyrazolo[1,5-a]pyrimidine-3,5-diamine.
What is the SMILES notation for 5-N,5-N-dimethylpyrazolo[1,5-a]pyrimidine-3,5-diamine?
The canonical SMILES for 5-N,5-N-dimethylpyrazolo[1,5-a]pyrimidine-3,5-diamine is CN(C)c1ccn2ncc(N)c2n1.
What is the InChIKey of 5-N,5-N-dimethylpyrazolo[1,5-a]pyrimidine-3,5-diamine?
The InChIKey is UDJSYOYGRVYMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5/c1-12(2)7-3-4-13-8(11-7)6(9)5-10-13/h3-5H,9H2,1-2H3.
What are the key properties of 5-N,5-N-dimethylpyrazolo[1,5-a]pyrimidine-3,5-diamine?
5-N,5-N-dimethylpyrazolo[1,5-a]pyrimidine-3,5-diamine has a molecular weight of 177.21 g/mol, XLogP of 0.38, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,5-N-dimethylpyrazolo[1,5-a]pyrimidine-3,5-diamine is sourced from PubChem (CID 58611206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).