4-(2-pentan-2-ylpyrrolidin-1-yl)-6-pyrazol-1-ylpyrimidin-2-amine

C16H24N6 — CID 75441014

IUPAC4-(2-pentan-2-ylpyrrolidin-1-yl)-6-pyrazol-1-ylpyrimidin-2-amine
SMILESCCCC(C)C1CCCN1c1cc(-n2cccn2)nc(N)n1
InChIInChI=1S/C16H24N6/c1-3-6-12(2)13-7-4-9-21(13)14-11-15(20-16(17)19-14)22-10-5-8-18-22/h5,8,10-13H,3-4,6-7,9H2,1-2H3,(H2,17,19,20)
InChIKeyRJAXDGJZRFKRKA-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.65
Rot. Bonds5

About 4-(2-pentan-2-ylpyrrolidin-1-yl)-6-pyrazol-1-ylpyrimidin-2-amine

4-(2-pentan-2-ylpyrrolidin-1-yl)-6-pyrazol-1-ylpyrimidin-2-amine (PubChem CID 75441014) has the molecular formula C16H24N6 and a molecular weight of 300.41 g/mol. Its IUPAC name is 4-(2-pentan-2-ylpyrrolidin-1-yl)-6-pyrazol-1-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-pentan-2-ylpyrrolidin-1-yl)-6-pyrazol-1-ylpyrimidin-2-amine
PubChem CID75441014
Molecular FormulaC16H24N6
Molecular Weight300.41 g/mol
Exact Mass300.21
IUPAC Name4-(2-pentan-2-ylpyrrolidin-1-yl)-6-pyrazol-1-ylpyrimidin-2-amine
SMILESCCCC(C)C1CCCN1c1cc(-n2cccn2)nc(N)n1
InChIInChI=1S/C16H24N6/c1-3-6-12(2)13-7-4-9-21(13)14-11-15(20-16(17)19-14)22-10-5-8-18-22/h5,8,10-13H,3-4,6-7,9H2,1-2H3,(H2,17,19,20)
InChIKeyRJAXDGJZRFKRKA-UHFFFAOYSA-N
XLogP2.65
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2-pentan-2-ylpyrrolidin-1-yl)-6-pyrazol-1-ylpyrimidin-2-amine?
The IUPAC name of 4-(2-pentan-2-ylpyrrolidin-1-yl)-6-pyrazol-1-ylpyrimidin-2-amine (CID 75441014) is 4-(2-pentan-2-ylpyrrolidin-1-yl)-6-pyrazol-1-ylpyrimidin-2-amine.
What is the SMILES notation for 4-(2-pentan-2-ylpyrrolidin-1-yl)-6-pyrazol-1-ylpyrimidin-2-amine?
The canonical SMILES for 4-(2-pentan-2-ylpyrrolidin-1-yl)-6-pyrazol-1-ylpyrimidin-2-amine is CCCC(C)C1CCCN1c1cc(-n2cccn2)nc(N)n1.
What is the InChIKey of 4-(2-pentan-2-ylpyrrolidin-1-yl)-6-pyrazol-1-ylpyrimidin-2-amine?
The InChIKey is RJAXDGJZRFKRKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6/c1-3-6-12(2)13-7-4-9-21(13)14-11-15(20-16(17)19-14)22-10-5-8-18-22/h5,8,10-13H,3-4,6-7,9H2,1-2H3,(H2,17,19,20).
What are the key properties of 4-(2-pentan-2-ylpyrrolidin-1-yl)-6-pyrazol-1-ylpyrimidin-2-amine?
4-(2-pentan-2-ylpyrrolidin-1-yl)-6-pyrazol-1-ylpyrimidin-2-amine has a molecular weight of 300.41 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-pentan-2-ylpyrrolidin-1-yl)-6-pyrazol-1-ylpyrimidin-2-amine is sourced from PubChem (CID 75441014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).