1-methyl-6-[[2-methylpropyl(propan-2-yl)amino]methyl]pyrazolo[3,4-d]pyrimidin-4-amine

C14H24N6 — CID 63221487

IUPAC1-methyl-6-[[2-methylpropyl(propan-2-yl)amino]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)CN(Cc1nc(N)c2cnn(C)c2n1)C(C)C
InChIInChI=1S/C14H24N6/c1-9(2)7-20(10(3)4)8-12-17-13(15)11-6-16-19(5)14(11)18-12/h6,9-10H,7-8H2,1-5H3,(H2,15,17,18)
InChIKeyAFNOJWHXXVEKQS-UHFFFAOYSA-N
MW276.39 g/mol
LogP1.81
Rot. Bonds5

About 1-methyl-6-[[2-methylpropyl(propan-2-yl)amino]methyl]pyrazolo[3,4-d]pyrimidin-4-amine

1-methyl-6-[[2-methylpropyl(propan-2-yl)amino]methyl]pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 63221487) has the molecular formula C14H24N6 and a molecular weight of 276.39 g/mol. Its IUPAC name is 1-methyl-6-[[2-methylpropyl(propan-2-yl)amino]methyl]pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-methyl-6-[[2-methylpropyl(propan-2-yl)amino]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID63221487
Molecular FormulaC14H24N6
Molecular Weight276.39 g/mol
Exact Mass276.21
IUPAC Name1-methyl-6-[[2-methylpropyl(propan-2-yl)amino]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)CN(Cc1nc(N)c2cnn(C)c2n1)C(C)C
InChIInChI=1S/C14H24N6/c1-9(2)7-20(10(3)4)8-12-17-13(15)11-6-16-19(5)14(11)18-12/h6,9-10H,7-8H2,1-5H3,(H2,15,17,18)
InChIKeyAFNOJWHXXVEKQS-UHFFFAOYSA-N
XLogP1.81
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.39
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-2-methyl-N-propan-2-ylpropan-1-amine
CID 63220335
1-methyl-6-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 63220885
3-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl-methylamino]-2-methylpropanenitrile
CID 55163713
1-methyl-6-(4-methylpentoxymethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 63220877
1-methyl-6-(3-methylbutan-2-ylsulfanylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 107756543
6-[[cyclopropylmethyl(methyl)amino]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 63220714
6-[[furan-2-ylmethyl(methyl)amino]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 63220353
6-[[3-methoxypropyl(methyl)amino]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 55161566
6-(2,2-difluoroethoxymethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 82006619
1-methyl-6-(1-phenylethoxymethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 63221104
2-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl-ethylamino]-N-ethylacetamide
CID 63221215
3-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl-cyclopropylamino]propanenitrile
CID 63221345

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-[[2-methylpropyl(propan-2-yl)amino]methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-methyl-6-[[2-methylpropyl(propan-2-yl)amino]methyl]pyrazolo[3,4-d]pyrimidin-4-amine (CID 63221487) is 1-methyl-6-[[2-methylpropyl(propan-2-yl)amino]methyl]pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-methyl-6-[[2-methylpropyl(propan-2-yl)amino]methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-methyl-6-[[2-methylpropyl(propan-2-yl)amino]methyl]pyrazolo[3,4-d]pyrimidin-4-amine is CC(C)CN(Cc1nc(N)c2cnn(C)c2n1)C(C)C.
What is the InChIKey of 1-methyl-6-[[2-methylpropyl(propan-2-yl)amino]methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is AFNOJWHXXVEKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N6/c1-9(2)7-20(10(3)4)8-12-17-13(15)11-6-16-19(5)14(11)18-12/h6,9-10H,7-8H2,1-5H3,(H2,15,17,18).
What are the key properties of 1-methyl-6-[[2-methylpropyl(propan-2-yl)amino]methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
1-methyl-6-[[2-methylpropyl(propan-2-yl)amino]methyl]pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 276.39 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-[[2-methylpropyl(propan-2-yl)amino]methyl]pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 63221487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).