N-[[1-(dimethylamino)cyclobutyl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

C13H20N6 — CID 105419063

IUPACN-[[1-(dimethylamino)cyclobutyl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCN(C)C1(CNc2ncnc3c2cnn3C)CCC1
InChIInChI=1S/C13H20N6/c1-18(2)13(5-4-6-13)8-14-11-10-7-17-19(3)12(10)16-9-15-11/h7,9H,4-6,8H2,1-3H3,(H,14,15,16)
InChIKeyPIZVOGTUIOWRST-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.26
Rot. Bonds4

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

N-[[1-(dimethylamino)cyclobutyl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 105419063) has the molecular formula C13H20N6 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cyclobutyl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cyclobutyl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID105419063
Molecular FormulaC13H20N6
Molecular Weight260.34 g/mol
Exact Mass260.17
IUPAC NameN-[[1-(dimethylamino)cyclobutyl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCN(C)C1(CNc2ncnc3c2cnn3C)CCC1
InChIInChI=1S/C13H20N6/c1-18(2)13(5-4-6-13)8-14-11-10-7-17-19(3)12(10)16-9-15-11/h7,9H,4-6,8H2,1-3H3,(H,14,15,16)
InChIKeyPIZVOGTUIOWRST-UHFFFAOYSA-N
XLogP1.26
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.26
H-Bond Donors ≤ 51
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-(aminomethyl)cyclohexyl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 103970405
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]methyl]cyclopropane-1-carboxylic acid
CID 113312142
4-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]oxan-4-ol
CID 78929377
N-ethyl-N'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)propane-1,3-diamine
CID 54906576
N-[[4-(dimethylamino)oxan-4-yl]methyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 133312334
1-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 60710985
4-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]-6,7-dihydro-5H-1-benzofuran-4-ol
CID 138989085
4-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]-2,3-dihydrochromen-4-ol
CID 138989169
N-(2,2-difluoroethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 79099379
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 56818906

Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cyclobutyl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-[[1-(dimethylamino)cyclobutyl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (CID 105419063) is N-[[1-(dimethylamino)cyclobutyl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[[1-(dimethylamino)cyclobutyl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[[1-(dimethylamino)cyclobutyl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is CN(C)C1(CNc2ncnc3c2cnn3C)CCC1.
What is the InChIKey of N-[[1-(dimethylamino)cyclobutyl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is PIZVOGTUIOWRST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6/c1-18(2)13(5-4-6-13)8-14-11-10-7-17-19(3)12(10)16-9-15-11/h7,9H,4-6,8H2,1-3H3,(H,14,15,16).
What are the key properties of N-[[1-(dimethylamino)cyclobutyl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
N-[[1-(dimethylamino)cyclobutyl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 260.34 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)cyclobutyl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 105419063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).