N-hexan-3-yl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

C12H19N5 — CID 62046967

IUPACN-hexan-3-yl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCCC(CC)Nc1ncnc2c1cnn2C
InChIInChI=1S/C12H19N5/c1-4-6-9(5-2)16-11-10-7-15-17(3)12(10)14-8-13-11/h7-9H,4-6H2,1-3H3,(H,13,14,16)
InChIKeyXHCIZJYJFDFUMX-UHFFFAOYSA-N
MW233.32 g/mol
LogP2.35
Rot. Bonds5

About N-hexan-3-yl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

N-hexan-3-yl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 62046967) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is N-hexan-3-yl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-hexan-3-yl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID62046967
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC NameN-hexan-3-yl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCCC(CC)Nc1ncnc2c1cnn2C
InChIInChI=1S/C12H19N5/c1-4-6-9(5-2)16-11-10-7-15-17(3)12(10)14-8-13-11/h7-9H,4-6H2,1-3H3,(H,13,14,16)
InChIKeyXHCIZJYJFDFUMX-UHFFFAOYSA-N
XLogP2.35
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-hexan-3-yl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-hexan-3-yl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (CID 62046967) is N-hexan-3-yl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-hexan-3-yl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-hexan-3-yl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is CCCC(CC)Nc1ncnc2c1cnn2C.
What is the InChIKey of N-hexan-3-yl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is XHCIZJYJFDFUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5/c1-4-6-9(5-2)16-11-10-7-15-17(3)12(10)14-8-13-11/h7-9H,4-6H2,1-3H3,(H,13,14,16).
What are the key properties of N-hexan-3-yl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
N-hexan-3-yl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 233.32 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexan-3-yl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 62046967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).