3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine

C9H12N4 — CID 67008396

IUPAC3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCC(C)c1cnn2c(N)ccnc12
InChIInChI=1S/C9H12N4/c1-6(2)7-5-12-13-8(10)3-4-11-9(7)13/h3-6H,10H2,1-2H3
InChIKeyHKCFPVWPHDDWDB-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.43
Rot. Bonds1

About 3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine

3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 67008396) has the molecular formula C9H12N4 and a molecular weight of 176.22 g/mol. Its IUPAC name is 3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID67008396
Molecular FormulaC9H12N4
Molecular Weight176.22 g/mol
Exact Mass176.11
IUPAC Name3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCC(C)c1cnn2c(N)ccnc12
InChIInChI=1S/C9H12N4/c1-6(2)7-5-12-13-8(10)3-4-11-9(7)13/h3-6H,10H2,1-2H3
InChIKeyHKCFPVWPHDDWDB-UHFFFAOYSA-N
XLogP1.43
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 67008396) is 3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine is CC(C)c1cnn2c(N)ccnc12.
What is the InChIKey of 3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is HKCFPVWPHDDWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4/c1-6(2)7-5-12-13-8(10)3-4-11-9(7)13/h3-6H,10H2,1-2H3.
What are the key properties of 3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 176.22 g/mol, XLogP of 1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 67008396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).