2,5-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine

C13H16N6 — CID 122193829

IUPAC2,5-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCc2nccn2C)n2nc(C)cc2n1
InChIInChI=1S/C13H16N6/c1-9-6-11(15-8-13-14-4-5-18(13)3)19-12(16-9)7-10(2)17-19/h4-7,15H,8H2,1-3H3
InChIKeyACFNEEXTUYVSLO-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.69
Rot. Bonds3

About 2,5-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine

2,5-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 122193829) has the molecular formula C13H16N6 and a molecular weight of 256.31 g/mol. Its IUPAC name is 2,5-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name2,5-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID122193829
Molecular FormulaC13H16N6
Molecular Weight256.31 g/mol
Exact Mass256.14
IUPAC Name2,5-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCc2nccn2C)n2nc(C)cc2n1
InChIInChI=1S/C13H16N6/c1-9-6-11(15-8-13-14-4-5-18(13)3)19-12(16-9)7-10(2)17-19/h4-7,15H,8H2,1-3H3
InChIKeyACFNEEXTUYVSLO-UHFFFAOYSA-N
XLogP1.69
TPSA60.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 2,5-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 122193829) is 2,5-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 2,5-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 2,5-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine is Cc1cc(NCc2nccn2C)n2nc(C)cc2n1.
What is the InChIKey of 2,5-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is ACFNEEXTUYVSLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6/c1-9-6-11(15-8-13-14-4-5-18(13)3)19-12(16-9)7-10(2)17-19/h4-7,15H,8H2,1-3H3.
What are the key properties of 2,5-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
2,5-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 256.31 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 122193829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).