1-(3,5-dimethylphenyl)-N-ethyl-N-phenylpyrazolo[5,4-d]pyrimidin-4-amine

C21H21N5 — CID 17017634

IUPAC1-(3,5-dimethylphenyl)-N-ethyl-N-phenylpyrazolo[5,4-d]pyrimidin-4-amine
SMILESCCN(c1ccccc1)c1ncnc2c1cnn2-c1cc(C)cc(C)c1
InChIInChI=1S/C21H21N5/c1-4-25(17-8-6-5-7-9-17)20-19-13-24-26(21(19)23-14-22-20)18-11-15(2)10-16(3)12-18/h5-14H,4H2,1-3H3
InChIKeyLUEBTNKEADUWGP-UHFFFAOYSA-N
MW343.43 g/mol
LogP4.59
Rot. Bonds4

About 1-(3,5-dimethylphenyl)-N-ethyl-N-phenylpyrazolo[5,4-d]pyrimidin-4-amine

1-(3,5-dimethylphenyl)-N-ethyl-N-phenylpyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 17017634) has the molecular formula C21H21N5 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-N-ethyl-N-phenylpyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-N-ethyl-N-phenylpyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID17017634
Molecular FormulaC21H21N5
Molecular Weight343.43 g/mol
Exact Mass343.18
IUPAC Name1-(3,5-dimethylphenyl)-N-ethyl-N-phenylpyrazolo[5,4-d]pyrimidin-4-amine
SMILESCCN(c1ccccc1)c1ncnc2c1cnn2-c1cc(C)cc(C)c1
InChIInChI=1S/C21H21N5/c1-4-25(17-8-6-5-7-9-17)20-19-13-24-26(21(19)23-14-22-20)18-11-15(2)10-16(3)12-18/h5-14H,4H2,1-3H3
InChIKeyLUEBTNKEADUWGP-UHFFFAOYSA-N
XLogP4.59
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-N-ethyl-N-phenylpyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of 1-(3,5-dimethylphenyl)-N-ethyl-N-phenylpyrazolo[5,4-d]pyrimidin-4-amine (CID 17017634) is 1-(3,5-dimethylphenyl)-N-ethyl-N-phenylpyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-N-ethyl-N-phenylpyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-(3,5-dimethylphenyl)-N-ethyl-N-phenylpyrazolo[5,4-d]pyrimidin-4-amine is CCN(c1ccccc1)c1ncnc2c1cnn2-c1cc(C)cc(C)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-N-ethyl-N-phenylpyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is LUEBTNKEADUWGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5/c1-4-25(17-8-6-5-7-9-17)20-19-13-24-26(21(19)23-14-22-20)18-11-15(2)10-16(3)12-18/h5-14H,4H2,1-3H3.
What are the key properties of 1-(3,5-dimethylphenyl)-N-ethyl-N-phenylpyrazolo[5,4-d]pyrimidin-4-amine?
1-(3,5-dimethylphenyl)-N-ethyl-N-phenylpyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 343.43 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-N-ethyl-N-phenylpyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 17017634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).