N-methyl-1-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-2-yl]methanamine

C13H20N6 — CID 55138849

IUPACN-methyl-1-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-2-yl]methanamine
SMILESCNCC1CCCCN1c1ncnc2c1cnn2C
InChIInChI=1S/C13H20N6/c1-14-7-10-5-3-4-6-19(10)13-11-8-17-18(2)12(11)15-9-16-13/h8-10,14H,3-7H2,1-2H3
InChIKeyOWVHAFKIFPZDSS-UHFFFAOYSA-N
MW260.34 g/mol
LogP0.94
Rot. Bonds3

About N-methyl-1-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-2-yl]methanamine

N-methyl-1-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-2-yl]methanamine (PubChem CID 55138849) has the molecular formula C13H20N6 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-methyl-1-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-2-yl]methanamine
PubChem CID55138849
Molecular FormulaC13H20N6
Molecular Weight260.34 g/mol
Exact Mass260.17
IUPAC NameN-methyl-1-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-2-yl]methanamine
SMILESCNCC1CCCCN1c1ncnc2c1cnn2C
InChIInChI=1S/C13H20N6/c1-14-7-10-5-3-4-6-19(10)13-11-8-17-18(2)12(11)15-9-16-13/h8-10,14H,3-7H2,1-2H3
InChIKeyOWVHAFKIFPZDSS-UHFFFAOYSA-N
XLogP0.94
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-1-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanamine
CID 62586356
4-[2-(2-bromoethyl)piperidin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine
CID 80671765
4-[2-(methoxymethyl)piperidin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine
CID 146092252
[(2R)-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 41112085
[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 22590117
N-methyl-1-(1-quinazolin-4-ylpiperidin-2-yl)methanamine
CID 62586937
4-[(2S)-2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine
CID 94582480
[4-methyl-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-2-yl]methanamine
CID 80506211
N-methyl-1-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-2-yl)methanamine
CID 62585668
4-(2-ethylpiperidin-1-yl)-1,6-dimethylpyrazolo[5,4-d]pyrimidine
CID 136525360
N-methyl-1-[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-2-yl]methanamine
CID 102686844
N-[[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]methyl]cyclopropanamine
CID 62593364

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-2-yl]methanamine?
The IUPAC name of N-methyl-1-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-2-yl]methanamine (CID 55138849) is N-methyl-1-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-2-yl]methanamine is CNCC1CCCCN1c1ncnc2c1cnn2C.
What is the InChIKey of N-methyl-1-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-2-yl]methanamine?
The InChIKey is OWVHAFKIFPZDSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6/c1-14-7-10-5-3-4-6-19(10)13-11-8-17-18(2)12(11)15-9-16-13/h8-10,14H,3-7H2,1-2H3.
What are the key properties of N-methyl-1-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-2-yl]methanamine?
N-methyl-1-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-2-yl]methanamine has a molecular weight of 260.34 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-2-yl]methanamine is sourced from PubChem (CID 55138849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).