4-N-(6-tert-butyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)cyclohexane-1,4-diamine

C16H26N6 — CID 56891209

IUPAC4-N-(6-tert-butyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)cyclohexane-1,4-diamine
SMILESCn1ncc2c(NC3CCC(N)CC3)nc(C(C)(C)C)nc21
InChIInChI=1S/C16H26N6/c1-16(2,3)15-20-13(12-9-18-22(4)14(12)21-15)19-11-7-5-10(17)6-8-11/h9-11H,5-8,17H2,1-4H3,(H,19,20,21)
InChIKeyLIVJYDZNLVANMU-UHFFFAOYSA-N
MW302.43 g/mol
LogP2.34
Rot. Bonds2

About 4-N-(6-tert-butyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)cyclohexane-1,4-diamine

4-N-(6-tert-butyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)cyclohexane-1,4-diamine (PubChem CID 56891209) has the molecular formula C16H26N6 and a molecular weight of 302.43 g/mol. Its IUPAC name is 4-N-(6-tert-butyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-(6-tert-butyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)cyclohexane-1,4-diamine
PubChem CID56891209
Molecular FormulaC16H26N6
Molecular Weight302.43 g/mol
Exact Mass302.22
IUPAC Name4-N-(6-tert-butyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)cyclohexane-1,4-diamine
SMILESCn1ncc2c(NC3CCC(N)CC3)nc(C(C)(C)C)nc21
InChIInChI=1S/C16H26N6/c1-16(2,3)15-20-13(12-9-18-22(4)14(12)21-15)19-11-7-5-10(17)6-8-11/h9-11H,5-8,17H2,1-4H3,(H,19,20,21)
InChIKeyLIVJYDZNLVANMU-UHFFFAOYSA-N
XLogP2.34
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.43
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-(6-tert-butyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)cyclohexane-1,4-diamine?
The IUPAC name of 4-N-(6-tert-butyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)cyclohexane-1,4-diamine (CID 56891209) is 4-N-(6-tert-butyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-(6-tert-butyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-(6-tert-butyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)cyclohexane-1,4-diamine is Cn1ncc2c(NC3CCC(N)CC3)nc(C(C)(C)C)nc21.
What is the InChIKey of 4-N-(6-tert-butyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)cyclohexane-1,4-diamine?
The InChIKey is LIVJYDZNLVANMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N6/c1-16(2,3)15-20-13(12-9-18-22(4)14(12)21-15)19-11-7-5-10(17)6-8-11/h9-11H,5-8,17H2,1-4H3,(H,19,20,21).
What are the key properties of 4-N-(6-tert-butyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)cyclohexane-1,4-diamine?
4-N-(6-tert-butyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)cyclohexane-1,4-diamine has a molecular weight of 302.43 g/mol, XLogP of 2.34, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(6-tert-butyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)cyclohexane-1,4-diamine is sourced from PubChem (CID 56891209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).