3-[(2,3-dichlorophenyl)methyl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine

C15H15Cl2N5 — CID 71605584

IUPAC3-[(2,3-dichlorophenyl)methyl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)n1nc(Cc2cccc(Cl)c2Cl)c2c(N)ncnc21
InChIInChI=1S/C15H15Cl2N5/c1-8(2)22-15-12(14(18)19-7-20-15)11(21-22)6-9-4-3-5-10(16)13(9)17/h3-5,7-8H,6H2,1-2H3,(H2,18,19,20)
InChIKeyMPZKXGIVVPNNAC-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.89
Rot. Bonds3

About 3-[(2,3-dichlorophenyl)methyl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine

3-[(2,3-dichlorophenyl)methyl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 71605584) has the molecular formula C15H15Cl2N5 and a molecular weight of 336.23 g/mol. Its IUPAC name is 3-[(2,3-dichlorophenyl)methyl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-[(2,3-dichlorophenyl)methyl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID71605584
Molecular FormulaC15H15Cl2N5
Molecular Weight336.23 g/mol
Exact Mass335.07
IUPAC Name3-[(2,3-dichlorophenyl)methyl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)n1nc(Cc2cccc(Cl)c2Cl)c2c(N)ncnc21
InChIInChI=1S/C15H15Cl2N5/c1-8(2)22-15-12(14(18)19-7-20-15)11(21-22)6-9-4-3-5-10(16)13(9)17/h3-5,7-8H,6H2,1-2H3,(H2,18,19,20)
InChIKeyMPZKXGIVVPNNAC-UHFFFAOYSA-N
XLogP3.89
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,3-dichlorophenyl)methyl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 3-[(2,3-dichlorophenyl)methyl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine (CID 71605584) is 3-[(2,3-dichlorophenyl)methyl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-[(2,3-dichlorophenyl)methyl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-[(2,3-dichlorophenyl)methyl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine is CC(C)n1nc(Cc2cccc(Cl)c2Cl)c2c(N)ncnc21.
What is the InChIKey of 3-[(2,3-dichlorophenyl)methyl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is MPZKXGIVVPNNAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N5/c1-8(2)22-15-12(14(18)19-7-20-15)11(21-22)6-9-4-3-5-10(16)13(9)17/h3-5,7-8H,6H2,1-2H3,(H2,18,19,20).
What are the key properties of 3-[(2,3-dichlorophenyl)methyl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
3-[(2,3-dichlorophenyl)methyl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 336.23 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3-dichlorophenyl)methyl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 71605584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).