N-[[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]methyl]cyclopropanamine

C15H22N6 — CID 62593364

IUPACN-[[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]methyl]cyclopropanamine
SMILESCn1ncc2c(N3CCC(CNC4CC4)CC3)ncnc21
InChIInChI=1S/C15H22N6/c1-20-14-13(9-19-20)15(18-10-17-14)21-6-4-11(5-7-21)8-16-12-2-3-12/h9-12,16H,2-8H2,1H3
InChIKeyVKUYWGSHUFYFEW-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.33
Rot. Bonds4

About N-[[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]methyl]cyclopropanamine

N-[[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]methyl]cyclopropanamine (PubChem CID 62593364) has the molecular formula C15H22N6 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]methyl]cyclopropanamine
PubChem CID62593364
Molecular FormulaC15H22N6
Molecular Weight286.38 g/mol
Exact Mass286.19
IUPAC NameN-[[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]methyl]cyclopropanamine
SMILESCn1ncc2c(N3CCC(CNC4CC4)CC3)ncnc21
InChIInChI=1S/C15H22N6/c1-20-14-13(9-19-20)15(18-10-17-14)21-6-4-11(5-7-21)8-16-12-2-3-12/h9-12,16H,2-8H2,1H3
InChIKeyVKUYWGSHUFYFEW-UHFFFAOYSA-N
XLogP1.33
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-dimethyl-1-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]methanamine
CID 47282393
1-methyl-4-(4-propylazepan-1-yl)pyrazolo[5,4-d]pyrimidine
CID 48933564
1-methyl-4-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 126874144
N-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]propane-1-sulfonamide
CID 86776323
4-[4-(1-chloroethyl)piperidin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine
CID 106838514
1-methyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine
CID 11356415
1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-one
CID 43088529
1-methyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine;dihydrochloride
CID 166000897
1-methyl-4-(4-propan-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine
CID 31290694
1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-N-[1-(4-pyridin-4-ylphenyl)ethyl]piperidin-4-amine
CID 102563411
4-[4-(3,4-dimethylphenoxy)piperidin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine
CID 86808264
1-methyl-4-[4-(9-methylpurin-6-yl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 154853682

Frequently Asked Questions

What is the IUPAC name of N-[[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]methyl]cyclopropanamine (CID 62593364) is N-[[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]methyl]cyclopropanamine is Cn1ncc2c(N3CCC(CNC4CC4)CC3)ncnc21.
What is the InChIKey of N-[[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]methyl]cyclopropanamine?
The InChIKey is VKUYWGSHUFYFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6/c1-20-14-13(9-19-20)15(18-10-17-14)21-6-4-11(5-7-21)8-16-12-2-3-12/h9-12,16H,2-8H2,1H3.
What are the key properties of N-[[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]methyl]cyclopropanamine?
N-[[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]methyl]cyclopropanamine has a molecular weight of 286.38 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62593364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).