N,1-dimethyl-6-[[methyl(4-methylpentan-2-yl)amino]methyl]pyrazolo[3,4-d]pyrimidin-4-amine

C15H26N6 — CID 63221485

IUPACN,1-dimethyl-6-[[methyl(4-methylpentan-2-yl)amino]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCNc1nc(CN(C)C(C)CC(C)C)nc2c1cnn2C
InChIInChI=1S/C15H26N6/c1-10(2)7-11(3)20(5)9-13-18-14(16-4)12-8-17-21(6)15(12)19-13/h8,10-11H,7,9H2,1-6H3,(H,16,18,19)
InChIKeyMPFWHFVKCVACBC-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.27
Rot. Bonds6

About N,1-dimethyl-6-[[methyl(4-methylpentan-2-yl)amino]methyl]pyrazolo[3,4-d]pyrimidin-4-amine

N,1-dimethyl-6-[[methyl(4-methylpentan-2-yl)amino]methyl]pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 63221485) has the molecular formula C15H26N6 and a molecular weight of 290.41 g/mol. Its IUPAC name is N,1-dimethyl-6-[[methyl(4-methylpentan-2-yl)amino]methyl]pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN,1-dimethyl-6-[[methyl(4-methylpentan-2-yl)amino]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID63221485
Molecular FormulaC15H26N6
Molecular Weight290.41 g/mol
Exact Mass290.22
IUPAC NameN,1-dimethyl-6-[[methyl(4-methylpentan-2-yl)amino]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCNc1nc(CN(C)C(C)CC(C)C)nc2c1cnn2C
InChIInChI=1S/C15H26N6/c1-10(2)7-11(3)20(5)9-13-18-14(16-4)12-8-17-21(6)15(12)19-13/h8,10-11H,7,9H2,1-6H3,(H,16,18,19)
InChIKeyMPFWHFVKCVACBC-UHFFFAOYSA-N
XLogP2.27
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N,1-dimethyl-6-[[methyl(4-methylpentan-2-yl)amino]methyl]pyrazolo[3,4-d]pyrimidin-4-amine with MolForge

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Related Compounds

N,1-dimethyl-6-[[methyl(pentan-3-yl)amino]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 63220534
2-[[4-(ethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]methyl-methylamino]propan-1-ol
CID 104554373
N-ethyl-6-[[1-methoxypropan-2-yl(methyl)amino]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 63221252
[1-methyl-4-(methylamino)pyrazolo[3,4-d]pyrimidin-6-yl]methanol
CID 63221291
6-[[1-cyclopropylethyl(methyl)amino]methyl]-N-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 63220443
2-[[1-methyl-4-(methylamino)pyrazolo[3,4-d]pyrimidin-6-yl]methylsulfanyl]propan-1-ol
CID 113373968
6-(1-ethoxypropan-2-yloxymethyl)-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
CID 103490256
N,1-dimethyl-6-[[methyl-(2-methyloxolan-3-yl)amino]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 82734913
6-(2,2-difluoroethoxymethyl)-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
CID 82006493
N,1-dimethyl-6-(1,2,4-triazol-1-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 63220908
1-[[1-methyl-4-(methylamino)pyrazolo[3,4-d]pyrimidin-6-yl]methyl]pyrrolidine-2,5-dione
CID 63220999
6-[[butyl(methyl)amino]methyl]-N-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 63220569

Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-6-[[methyl(4-methylpentan-2-yl)amino]methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N,1-dimethyl-6-[[methyl(4-methylpentan-2-yl)amino]methyl]pyrazolo[3,4-d]pyrimidin-4-amine (CID 63221485) is N,1-dimethyl-6-[[methyl(4-methylpentan-2-yl)amino]methyl]pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N,1-dimethyl-6-[[methyl(4-methylpentan-2-yl)amino]methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N,1-dimethyl-6-[[methyl(4-methylpentan-2-yl)amino]methyl]pyrazolo[3,4-d]pyrimidin-4-amine is CNc1nc(CN(C)C(C)CC(C)C)nc2c1cnn2C.
What is the InChIKey of N,1-dimethyl-6-[[methyl(4-methylpentan-2-yl)amino]methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is MPFWHFVKCVACBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N6/c1-10(2)7-11(3)20(5)9-13-18-14(16-4)12-8-17-21(6)15(12)19-13/h8,10-11H,7,9H2,1-6H3,(H,16,18,19).
What are the key properties of N,1-dimethyl-6-[[methyl(4-methylpentan-2-yl)amino]methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
N,1-dimethyl-6-[[methyl(4-methylpentan-2-yl)amino]methyl]pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 290.41 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-6-[[methyl(4-methylpentan-2-yl)amino]methyl]pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 63221485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).