N-[1-(aminomethyl)-4-methylcyclohexyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

C14H22N6 — CID 63759090

IUPACN-[1-(aminomethyl)-4-methylcyclohexyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC1CCC(CN)(Nc2ncnc3c2cnn3C)CC1
InChIInChI=1S/C14H22N6/c1-10-3-5-14(8-15,6-4-10)19-12-11-7-18-20(2)13(11)17-9-16-12/h7,9-10H,3-6,8,15H2,1-2H3,(H,16,17,19)
InChIKeyBQCGOUYMSGPJQJ-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.68
Rot. Bonds3

About N-[1-(aminomethyl)-4-methylcyclohexyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

N-[1-(aminomethyl)-4-methylcyclohexyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 63759090) has the molecular formula C14H22N6 and a molecular weight of 274.37 g/mol. Its IUPAC name is N-[1-(aminomethyl)-4-methylcyclohexyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(aminomethyl)-4-methylcyclohexyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID63759090
Molecular FormulaC14H22N6
Molecular Weight274.37 g/mol
Exact Mass274.19
IUPAC NameN-[1-(aminomethyl)-4-methylcyclohexyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC1CCC(CN)(Nc2ncnc3c2cnn3C)CC1
InChIInChI=1S/C14H22N6/c1-10-3-5-14(8-15,6-4-10)19-12-11-7-18-20(2)13(11)17-9-16-12/h7,9-10H,3-6,8,15H2,1-2H3,(H,16,17,19)
InChIKeyBQCGOUYMSGPJQJ-UHFFFAOYSA-N
XLogP1.68
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-4-methylcyclohexyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-[1-(aminomethyl)-4-methylcyclohexyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (CID 63759090) is N-[1-(aminomethyl)-4-methylcyclohexyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[1-(aminomethyl)-4-methylcyclohexyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[1-(aminomethyl)-4-methylcyclohexyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is CC1CCC(CN)(Nc2ncnc3c2cnn3C)CC1.
What is the InChIKey of N-[1-(aminomethyl)-4-methylcyclohexyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is BQCGOUYMSGPJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6/c1-10-3-5-14(8-15,6-4-10)19-12-11-7-18-20(2)13(11)17-9-16-12/h7,9-10H,3-6,8,15H2,1-2H3,(H,16,17,19).
What are the key properties of N-[1-(aminomethyl)-4-methylcyclohexyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
N-[1-(aminomethyl)-4-methylcyclohexyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 274.37 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-4-methylcyclohexyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 63759090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).