2-phenyl-5-propan-2-ylpyrazolo[4,3-d]pyrimidin-7-amine

C14H15N5 — CID 118708217

IUPAC2-phenyl-5-propan-2-ylpyrazolo[4,3-d]pyrimidin-7-amine
SMILESCC(C)c1nc(N)c2nn(-c3ccccc3)cc2n1
InChIInChI=1S/C14H15N5/c1-9(2)14-16-11-8-19(10-6-4-3-5-7-10)18-12(11)13(15)17-14/h3-9H,1-2H3,(H2,15,16,17)
InChIKeyBRXILWZPKMNAEA-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.52
Rot. Bonds2

About 2-phenyl-5-propan-2-ylpyrazolo[4,3-d]pyrimidin-7-amine

2-phenyl-5-propan-2-ylpyrazolo[4,3-d]pyrimidin-7-amine (PubChem CID 118708217) has the molecular formula C14H15N5 and a molecular weight of 253.31 g/mol. Its IUPAC name is 2-phenyl-5-propan-2-ylpyrazolo[4,3-d]pyrimidin-7-amine.

Molecular Properties

Compound Name2-phenyl-5-propan-2-ylpyrazolo[4,3-d]pyrimidin-7-amine
PubChem CID118708217
Molecular FormulaC14H15N5
Molecular Weight253.31 g/mol
Exact Mass253.13
IUPAC Name2-phenyl-5-propan-2-ylpyrazolo[4,3-d]pyrimidin-7-amine
SMILESCC(C)c1nc(N)c2nn(-c3ccccc3)cc2n1
InChIInChI=1S/C14H15N5/c1-9(2)14-16-11-8-19(10-6-4-3-5-7-10)18-12(11)13(15)17-14/h3-9H,1-2H3,(H2,15,16,17)
InChIKeyBRXILWZPKMNAEA-UHFFFAOYSA-N
XLogP2.52
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-propan-2-ylpyrazolo[4,3-d]pyrimidin-7-amine?
The IUPAC name of 2-phenyl-5-propan-2-ylpyrazolo[4,3-d]pyrimidin-7-amine (CID 118708217) is 2-phenyl-5-propan-2-ylpyrazolo[4,3-d]pyrimidin-7-amine.
What is the SMILES notation for 2-phenyl-5-propan-2-ylpyrazolo[4,3-d]pyrimidin-7-amine?
The canonical SMILES for 2-phenyl-5-propan-2-ylpyrazolo[4,3-d]pyrimidin-7-amine is CC(C)c1nc(N)c2nn(-c3ccccc3)cc2n1.
What is the InChIKey of 2-phenyl-5-propan-2-ylpyrazolo[4,3-d]pyrimidin-7-amine?
The InChIKey is BRXILWZPKMNAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5/c1-9(2)14-16-11-8-19(10-6-4-3-5-7-10)18-12(11)13(15)17-14/h3-9H,1-2H3,(H2,15,16,17).
What are the key properties of 2-phenyl-5-propan-2-ylpyrazolo[4,3-d]pyrimidin-7-amine?
2-phenyl-5-propan-2-ylpyrazolo[4,3-d]pyrimidin-7-amine has a molecular weight of 253.31 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-propan-2-ylpyrazolo[4,3-d]pyrimidin-7-amine is sourced from PubChem (CID 118708217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).