2,5-dimethyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine

C16H22N6 — CID 56892306

IUPAC2,5-dimethyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCc2cncn2CC(C)C)n2nc(C)cc2n1
InChIInChI=1S/C16H22N6/c1-11(2)9-21-10-17-7-14(21)8-18-15-5-12(3)19-16-6-13(4)20-22(15)16/h5-7,10-11,18H,8-9H2,1-4H3
InChIKeyJNJSJOYKUSHTPA-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.81
Rot. Bonds5

About 2,5-dimethyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine

2,5-dimethyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 56892306) has the molecular formula C16H22N6 and a molecular weight of 298.39 g/mol. Its IUPAC name is 2,5-dimethyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name2,5-dimethyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID56892306
Molecular FormulaC16H22N6
Molecular Weight298.39 g/mol
Exact Mass298.19
IUPAC Name2,5-dimethyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCc2cncn2CC(C)C)n2nc(C)cc2n1
InChIInChI=1S/C16H22N6/c1-11(2)9-21-10-17-7-14(21)8-18-15-5-12(3)19-16-6-13(4)20-22(15)16/h5-7,10-11,18H,8-9H2,1-4H3
InChIKeyJNJSJOYKUSHTPA-UHFFFAOYSA-N
XLogP2.81
TPSA60.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.81
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-[[3-(2-methylpropyl)imidazol-4-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 2,5-dimethyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 56892306) is 2,5-dimethyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 2,5-dimethyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 2,5-dimethyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine is Cc1cc(NCc2cncn2CC(C)C)n2nc(C)cc2n1.
What is the InChIKey of 2,5-dimethyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is JNJSJOYKUSHTPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6/c1-11(2)9-21-10-17-7-14(21)8-18-15-5-12(3)19-16-6-13(4)20-22(15)16/h5-7,10-11,18H,8-9H2,1-4H3.
What are the key properties of 2,5-dimethyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
2,5-dimethyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 298.39 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 56892306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).