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

C14H22N6 — CID 47282393

IUPACN,N-dimethyl-1-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]methanamine
SMILESCN(C)CC1CCN(c2ncnc3c2cnn3C)CC1
InChIInChI=1S/C14H22N6/c1-18(2)9-11-4-6-20(7-5-11)14-12-8-17-19(3)13(12)15-10-16-14/h8,10-11H,4-7,9H2,1-3H3
InChIKeyLJIPTLIEXYNVEI-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.14
Rot. Bonds3

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

N,N-dimethyl-1-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]methanamine (PubChem CID 47282393) has the molecular formula C14H22N6 and a molecular weight of 274.37 g/mol. Its IUPAC name is N,N-dimethyl-1-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]methanamine
PubChem CID47282393
Molecular FormulaC14H22N6
Molecular Weight274.37 g/mol
Exact Mass274.19
IUPAC NameN,N-dimethyl-1-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]methanamine
SMILESCN(C)CC1CCN(c2ncnc3c2cnn3C)CC1
InChIInChI=1S/C14H22N6/c1-18(2)9-11-4-6-20(7-5-11)14-12-8-17-19(3)13(12)15-10-16-14/h8,10-11H,4-7,9H2,1-3H3
InChIKeyLJIPTLIEXYNVEI-UHFFFAOYSA-N
XLogP1.14
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 94753
5-Ethyl-8-methyl-2-(2-(1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl)ethyl)-[1,2,4]triazolo[1,5-c]pyrimidine
CID 72705092
2-undecyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 11289252
2-decyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 11380352
2-(ethyl(1-methyl-4-(piperidin-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-6-yl)amino)ethanol
CID 7216404
2-nonyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 11149670
2-octyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 11242074
1-(1H-Pyrazolo[3,4-d]pyrimidin-4-yl)-piperidin-4-ylamine
CID 11535873
[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]methanamine
CID 11715597
1-Ethyl-3-(1-(2-(piperidin-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)urea hydrochloride
CID 71223168
N-(1-(2-(Piperidin-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)pivalamide maleate
CID 71223252
N-(1-(3-(piperidin-1-yl)propyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)pivalamide
CID 71225577

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]methanamine?
The IUPAC name of N,N-dimethyl-1-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]methanamine (CID 47282393) is N,N-dimethyl-1-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]methanamine is CN(C)CC1CCN(c2ncnc3c2cnn3C)CC1.
What is the InChIKey of N,N-dimethyl-1-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]methanamine?
The InChIKey is LJIPTLIEXYNVEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6/c1-18(2)9-11-4-6-20(7-5-11)14-12-8-17-19(3)13(12)15-10-16-14/h8,10-11H,4-7,9H2,1-3H3.
What are the key properties of N,N-dimethyl-1-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]methanamine?
N,N-dimethyl-1-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]methanamine has a molecular weight of 274.37 g/mol, XLogP of 1.14, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]methanamine is sourced from PubChem (CID 47282393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).