1-[(2-chlorophenyl)methyl]-N-ethyl-6-methylpyrazolo[3,4-d]pyrimidin-4-amine

C15H16ClN5 — CID 80726880

IUPAC1-[(2-chlorophenyl)methyl]-N-ethyl-6-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCNc1nc(C)nc2c1cnn2Cc1ccccc1Cl
InChIInChI=1S/C15H16ClN5/c1-3-17-14-12-8-18-21(15(12)20-10(2)19-14)9-11-6-4-5-7-13(11)16/h4-8H,3,9H2,1-2H3,(H,17,19,20)
InChIKeyBKFROTRTGXXULZ-UHFFFAOYSA-N
MW301.78 g/mol
LogP3.27
Rot. Bonds4

About 1-[(2-chlorophenyl)methyl]-N-ethyl-6-methylpyrazolo[3,4-d]pyrimidin-4-amine

1-[(2-chlorophenyl)methyl]-N-ethyl-6-methylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 80726880) has the molecular formula C15H16ClN5 and a molecular weight of 301.78 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-N-ethyl-6-methylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-N-ethyl-6-methylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID80726880
Molecular FormulaC15H16ClN5
Molecular Weight301.78 g/mol
Exact Mass301.11
IUPAC Name1-[(2-chlorophenyl)methyl]-N-ethyl-6-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCNc1nc(C)nc2c1cnn2Cc1ccccc1Cl
InChIInChI=1S/C15H16ClN5/c1-3-17-14-12-8-18-21(15(12)20-10(2)19-14)9-11-6-4-5-7-13(11)16/h4-8H,3,9H2,1-2H3,(H,17,19,20)
InChIKeyBKFROTRTGXXULZ-UHFFFAOYSA-N
XLogP3.27
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.78
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-N-ethyl-6-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-N-ethyl-6-methylpyrazolo[3,4-d]pyrimidin-4-amine (CID 80726880) is 1-[(2-chlorophenyl)methyl]-N-ethyl-6-methylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-N-ethyl-6-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-N-ethyl-6-methylpyrazolo[3,4-d]pyrimidin-4-amine is CCNc1nc(C)nc2c1cnn2Cc1ccccc1Cl.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-N-ethyl-6-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is BKFROTRTGXXULZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN5/c1-3-17-14-12-8-18-21(15(12)20-10(2)19-14)9-11-6-4-5-7-13(11)16/h4-8H,3,9H2,1-2H3,(H,17,19,20).
What are the key properties of 1-[(2-chlorophenyl)methyl]-N-ethyl-6-methylpyrazolo[3,4-d]pyrimidin-4-amine?
1-[(2-chlorophenyl)methyl]-N-ethyl-6-methylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 301.78 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-N-ethyl-6-methylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 80726880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).