5-(2-methylpropyl)-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine

C15H17N5 — CID 118708216

IUPAC5-(2-methylpropyl)-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine
SMILESCC(C)Cc1nc(N)c2nn(-c3ccccc3)cc2n1
InChIInChI=1S/C15H17N5/c1-10(2)8-13-17-12-9-20(11-6-4-3-5-7-11)19-14(12)15(16)18-13/h3-7,9-10H,8H2,1-2H3,(H2,16,17,18)
InChIKeyJISVMZYUDAXJKD-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.60
Rot. Bonds3

About 5-(2-methylpropyl)-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine

5-(2-methylpropyl)-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine (PubChem CID 118708216) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is 5-(2-methylpropyl)-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine.

Molecular Properties

Compound Name5-(2-methylpropyl)-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine
PubChem CID118708216
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC Name5-(2-methylpropyl)-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine
SMILESCC(C)Cc1nc(N)c2nn(-c3ccccc3)cc2n1
InChIInChI=1S/C15H17N5/c1-10(2)8-13-17-12-9-20(11-6-4-3-5-7-11)19-14(12)15(16)18-13/h3-7,9-10H,8H2,1-2H3,(H2,16,17,18)
InChIKeyJISVMZYUDAXJKD-UHFFFAOYSA-N
XLogP2.60
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine?
The IUPAC name of 5-(2-methylpropyl)-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine (CID 118708216) is 5-(2-methylpropyl)-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine.
What is the SMILES notation for 5-(2-methylpropyl)-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine?
The canonical SMILES for 5-(2-methylpropyl)-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine is CC(C)Cc1nc(N)c2nn(-c3ccccc3)cc2n1.
What is the InChIKey of 5-(2-methylpropyl)-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine?
The InChIKey is JISVMZYUDAXJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c1-10(2)8-13-17-12-9-20(11-6-4-3-5-7-11)19-14(12)15(16)18-13/h3-7,9-10H,8H2,1-2H3,(H2,16,17,18).
What are the key properties of 5-(2-methylpropyl)-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine?
5-(2-methylpropyl)-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine has a molecular weight of 267.34 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine is sourced from PubChem (CID 118708216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).