1-ethyl-3,5-dimethyl-N-phenylpyrazolo[4,5-d]pyrimidin-7-amine

C15H17N5 — CID 91946197

IUPAC1-ethyl-3,5-dimethyl-N-phenylpyrazolo[4,5-d]pyrimidin-7-amine
SMILESCCn1nc(C)c2nc(C)nc(Nc3ccccc3)c21
InChIInChI=1S/C15H17N5/c1-4-20-14-13(10(2)19-20)16-11(3)17-15(14)18-12-8-6-5-7-9-12/h5-9H,4H2,1-3H3,(H,16,17,18)
InChIKeyKFAIMGFMHCGYIX-UHFFFAOYSA-N
MW267.34 g/mol
LogP3.21
Rot. Bonds3

About 1-ethyl-3,5-dimethyl-N-phenylpyrazolo[4,5-d]pyrimidin-7-amine

1-ethyl-3,5-dimethyl-N-phenylpyrazolo[4,5-d]pyrimidin-7-amine (PubChem CID 91946197) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is 1-ethyl-3,5-dimethyl-N-phenylpyrazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound Name1-ethyl-3,5-dimethyl-N-phenylpyrazolo[4,5-d]pyrimidin-7-amine
PubChem CID91946197
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC Name1-ethyl-3,5-dimethyl-N-phenylpyrazolo[4,5-d]pyrimidin-7-amine
SMILESCCn1nc(C)c2nc(C)nc(Nc3ccccc3)c21
InChIInChI=1S/C15H17N5/c1-4-20-14-13(10(2)19-20)16-11(3)17-15(14)18-12-8-6-5-7-9-12/h5-9H,4H2,1-3H3,(H,16,17,18)
InChIKeyKFAIMGFMHCGYIX-UHFFFAOYSA-N
XLogP3.21
TPSA55.63 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 ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3,5-dimethyl-N-phenylpyrazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of 1-ethyl-3,5-dimethyl-N-phenylpyrazolo[4,5-d]pyrimidin-7-amine (CID 91946197) is 1-ethyl-3,5-dimethyl-N-phenylpyrazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for 1-ethyl-3,5-dimethyl-N-phenylpyrazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for 1-ethyl-3,5-dimethyl-N-phenylpyrazolo[4,5-d]pyrimidin-7-amine is CCn1nc(C)c2nc(C)nc(Nc3ccccc3)c21.
What is the InChIKey of 1-ethyl-3,5-dimethyl-N-phenylpyrazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is KFAIMGFMHCGYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c1-4-20-14-13(10(2)19-20)16-11(3)17-15(14)18-12-8-6-5-7-9-12/h5-9H,4H2,1-3H3,(H,16,17,18).
What are the key properties of 1-ethyl-3,5-dimethyl-N-phenylpyrazolo[4,5-d]pyrimidin-7-amine?
1-ethyl-3,5-dimethyl-N-phenylpyrazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 267.34 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3,5-dimethyl-N-phenylpyrazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 91946197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).