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

C14H22N6 — CID 103970405

IUPACN-[[1-(aminomethyl)cyclohexyl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCn1ncc2c(NCC3(CN)CCCCC3)ncnc21
InChIInChI=1S/C14H22N6/c1-20-13-11(7-19-20)12(17-10-18-13)16-9-14(8-15)5-3-2-4-6-14/h7,10H,2-6,8-9,15H2,1H3,(H,16,17,18)
InChIKeyOYNJXHJJMNBAQS-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.68
Rot. Bonds4

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

N-[[1-(aminomethyl)cyclohexyl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 103970405) has the molecular formula C14H22N6 and a molecular weight of 274.37 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclohexyl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclohexyl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID103970405
Molecular FormulaC14H22N6
Molecular Weight274.37 g/mol
Exact Mass274.19
IUPAC NameN-[[1-(aminomethyl)cyclohexyl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCn1ncc2c(NCC3(CN)CCCCC3)ncnc21
InChIInChI=1S/C14H22N6/c1-20-13-11(7-19-20)12(17-10-18-13)16-9-14(8-15)5-3-2-4-6-14/h7,10H,2-6,8-9,15H2,1H3,(H,16,17,18)
InChIKeyOYNJXHJJMNBAQS-UHFFFAOYSA-N
XLogP1.68
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
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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Related Compounds

N-[[1-(aminomethyl)cyclopropyl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 113313719
N-[[1-(dimethylamino)cyclobutyl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 105419063
1-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]cyclopropane-1-carboxylic acid
CID 113312142
4-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]oxan-4-ol
CID 78929377
4,4-dimethyl-1-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]cycloheptan-1-ol
CID 138032046
[1-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]cyclohexyl]methanol
CID 62521331
N-cycloheptyl-N'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine
CID 115306725
N-[1-(aminomethyl)-4-methylcyclohexyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 63759090
2-methyl-2-N-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)propane-1,2-diamine
CID 63194332
2,2-diethyl-N'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)propane-1,3-diamine
CID 106251404
4-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]-6,7-dihydro-5H-1-benzofuran-4-ol
CID 138989085
N-(2,2-difluoroethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 79099379

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclohexyl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-[[1-(aminomethyl)cyclohexyl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (CID 103970405) is N-[[1-(aminomethyl)cyclohexyl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[[1-(aminomethyl)cyclohexyl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[[1-(aminomethyl)cyclohexyl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is Cn1ncc2c(NCC3(CN)CCCCC3)ncnc21.
What is the InChIKey of N-[[1-(aminomethyl)cyclohexyl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is OYNJXHJJMNBAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6/c1-20-13-11(7-19-20)12(17-10-18-13)16-9-14(8-15)5-3-2-4-6-14/h7,10H,2-6,8-9,15H2,1H3,(H,16,17,18).
What are the key properties of N-[[1-(aminomethyl)cyclohexyl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
N-[[1-(aminomethyl)cyclohexyl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 274.37 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclohexyl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 103970405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).