N-(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine

C19H32N6 — CID 56909826

IUPACN-(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
SMILESCC(C)N(CCNc1nc(C2CCCC2)nc2c1cnn2C)C(C)C
InChIInChI=1S/C19H32N6/c1-13(2)25(14(3)4)11-10-20-18-16-12-21-24(5)19(16)23-17(22-18)15-8-6-7-9-15/h12-15H,6-11H2,1-5H3,(H,20,22,23)
InChIKeyRASKLGNVFZCQNI-UHFFFAOYSA-N
MW344.51 g/mol
LogP3.55
Rot. Bonds7

About N-(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine

N-(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine (PubChem CID 56909826) has the molecular formula C19H32N6 and a molecular weight of 344.51 g/mol. Its IUPAC name is N-(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
PubChem CID56909826
Molecular FormulaC19H32N6
Molecular Weight344.51 g/mol
Exact Mass344.27
IUPAC NameN-(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
SMILESCC(C)N(CCNc1nc(C2CCCC2)nc2c1cnn2C)C(C)C
InChIInChI=1S/C19H32N6/c1-13(2)25(14(3)4)11-10-20-18-16-12-21-24(5)19(16)23-17(22-18)15-8-6-7-9-15/h12-15H,6-11H2,1-5H3,(H,20,22,23)
InChIKeyRASKLGNVFZCQNI-UHFFFAOYSA-N
XLogP3.55
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.51
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The IUPAC name of N-(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine (CID 56909826) is N-(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N-(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The canonical SMILES for N-(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine is CC(C)N(CCNc1nc(C2CCCC2)nc2c1cnn2C)C(C)C.
What is the InChIKey of N-(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The InChIKey is RASKLGNVFZCQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N6/c1-13(2)25(14(3)4)11-10-20-18-16-12-21-24(5)19(16)23-17(22-18)15-8-6-7-9-15/h12-15H,6-11H2,1-5H3,(H,20,22,23).
What are the key properties of N-(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine?
N-(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine has a molecular weight of 344.51 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 56909826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).