6-[[cyclopropylmethyl(methyl)amino]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

C12H18N6 — CID 63220714

IUPAC6-[[cyclopropylmethyl(methyl)amino]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCN(Cc1nc(N)c2cnn(C)c2n1)CC1CC1
InChIInChI=1S/C12H18N6/c1-17(6-8-3-4-8)7-10-15-11(13)9-5-14-18(2)12(9)16-10/h5,8H,3-4,6-7H2,1-2H3,(H2,13,15,16)
InChIKeyKNEMODJICQLGFX-UHFFFAOYSA-N
MW246.32 g/mol
LogP0.79
Rot. Bonds4

About 6-[[cyclopropylmethyl(methyl)amino]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

6-[[cyclopropylmethyl(methyl)amino]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 63220714) has the molecular formula C12H18N6 and a molecular weight of 246.32 g/mol. Its IUPAC name is 6-[[cyclopropylmethyl(methyl)amino]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[[cyclopropylmethyl(methyl)amino]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID63220714
Molecular FormulaC12H18N6
Molecular Weight246.32 g/mol
Exact Mass246.16
IUPAC Name6-[[cyclopropylmethyl(methyl)amino]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCN(Cc1nc(N)c2cnn(C)c2n1)CC1CC1
InChIInChI=1S/C12H18N6/c1-17(6-8-3-4-8)7-10-15-11(13)9-5-14-18(2)12(9)16-10/h5,8H,3-4,6-7H2,1-2H3,(H2,13,15,16)
InChIKeyKNEMODJICQLGFX-UHFFFAOYSA-N
XLogP0.79
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.32
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[[cyclopropylmethyl(methyl)amino]methyl]-N-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 63220753
N-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-1-cyclopentyl-N-methylmethanamine
CID 63632297
6-[[3-methoxypropyl(methyl)amino]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 55161566
3-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl-methylamino]-2-methylpropanenitrile
CID 55163713
3-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl-cyclopropylamino]propanenitrile
CID 63221345
1-methyl-6-[[2-methylpropyl(propan-2-yl)amino]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 63221487
[1-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]piperidin-4-yl]methanol
CID 63220738
6-(cycloheptyloxymethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 63221063
2-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 63236440
1-methyl-6-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 63220885
6-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 83221923
N-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-N-(cyclobutylmethyl)ethanamine
CID 107398249

Frequently Asked Questions

What is the IUPAC name of 6-[[cyclopropylmethyl(methyl)amino]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 6-[[cyclopropylmethyl(methyl)amino]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (CID 63220714) is 6-[[cyclopropylmethyl(methyl)amino]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 6-[[cyclopropylmethyl(methyl)amino]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 6-[[cyclopropylmethyl(methyl)amino]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is CN(Cc1nc(N)c2cnn(C)c2n1)CC1CC1.
What is the InChIKey of 6-[[cyclopropylmethyl(methyl)amino]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is KNEMODJICQLGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6/c1-17(6-8-3-4-8)7-10-15-11(13)9-5-14-18(2)12(9)16-10/h5,8H,3-4,6-7H2,1-2H3,(H2,13,15,16).
What are the key properties of 6-[[cyclopropylmethyl(methyl)amino]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
6-[[cyclopropylmethyl(methyl)amino]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 246.32 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[cyclopropylmethyl(methyl)amino]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 63220714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).