N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine

C16H22N6 — CID 56907612

IUPACN-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1nccn1CCN(C)c1cc(C(C)C)nc2ccnn12
InChIInChI=1S/C16H22N6/c1-12(2)14-11-16(22-15(19-14)5-6-18-22)20(4)9-10-21-8-7-17-13(21)3/h5-8,11-12H,9-10H2,1-4H3
InChIKeyYUMUXESTWHMXSW-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.49
Rot. Bonds5

About N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine

N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 56907612) has the molecular formula C16H22N6 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID56907612
Molecular FormulaC16H22N6
Molecular Weight298.39 g/mol
Exact Mass298.19
IUPAC NameN-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1nccn1CCN(C)c1cc(C(C)C)nc2ccnn12
InChIInChI=1S/C16H22N6/c1-12(2)14-11-16(22-15(19-14)5-6-18-22)20(4)9-10-21-8-7-17-13(21)3/h5-8,11-12H,9-10H2,1-4H3
InChIKeyYUMUXESTWHMXSW-UHFFFAOYSA-N
XLogP2.49
TPSA51.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 56907612) is N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine is Cc1nccn1CCN(C)c1cc(C(C)C)nc2ccnn12.
What is the InChIKey of N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is YUMUXESTWHMXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6/c1-12(2)14-11-16(22-15(19-14)5-6-18-22)20(4)9-10-21-8-7-17-13(21)3/h5-8,11-12H,9-10H2,1-4H3.
What are the key properties of N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 298.39 g/mol, XLogP of 2.49, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 56907612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).