6-[[furan-2-ylmethyl(methyl)amino]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

C13H16N6O — CID 63220353

IUPAC6-[[furan-2-ylmethyl(methyl)amino]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCN(Cc1nc(N)c2cnn(C)c2n1)Cc1ccco1
InChIInChI=1S/C13H16N6O/c1-18(7-9-4-3-5-20-9)8-11-16-12(14)10-6-15-19(2)13(10)17-11/h3-6H,7-8H2,1-2H3,(H2,14,16,17)
InChIKeyQJDKZDLTCMNVNO-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.17
Rot. Bonds4

About 6-[[furan-2-ylmethyl(methyl)amino]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

6-[[furan-2-ylmethyl(methyl)amino]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 63220353) has the molecular formula C13H16N6O and a molecular weight of 272.31 g/mol. Its IUPAC name is 6-[[furan-2-ylmethyl(methyl)amino]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[[furan-2-ylmethyl(methyl)amino]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID63220353
Molecular FormulaC13H16N6O
Molecular Weight272.31 g/mol
Exact Mass272.14
IUPAC Name6-[[furan-2-ylmethyl(methyl)amino]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCN(Cc1nc(N)c2cnn(C)c2n1)Cc1ccco1
InChIInChI=1S/C13H16N6O/c1-18(7-9-4-3-5-20-9)8-11-16-12(14)10-6-15-19(2)13(10)17-11/h3-6H,7-8H2,1-2H3,(H2,14,16,17)
InChIKeyQJDKZDLTCMNVNO-UHFFFAOYSA-N
XLogP1.17
TPSA86.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-methyl-6-[[2-methylpropyl(propan-2-yl)amino]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 63221487
3-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl-methylamino]-2-methylpropanenitrile
CID 55163713
1-(furan-2-yl)-N-(furan-2-ylmethyl)-N-methylmethanamine;hydrochloride
CID 3028206
1-methyl-6-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 63220885
2-[[furan-2-ylmethyl(methyl)amino]methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 18124355
1-methyl-6-[(2-methylfuran-3-yl)sulfanylmethyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 107782349
N-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-N-methyl-1-thiophen-2-ylmethanamine
CID 63220285
N-(furan-2-ylmethyl)-1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-amine
CID 56918778
N-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-1-(furan-2-yl)-N-methylmethanamine
CID 62189221
2-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl-ethylamino]-N-ethylacetamide
CID 63221215
1-(furan-2-yl)-N-methyl-N-(quinolin-3-ylmethyl)methanamine
CID 23936129
1-methyl-6-(1-phenylethoxymethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 63221104

Frequently Asked Questions

What is the IUPAC name of 6-[[furan-2-ylmethyl(methyl)amino]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 6-[[furan-2-ylmethyl(methyl)amino]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (CID 63220353) is 6-[[furan-2-ylmethyl(methyl)amino]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 6-[[furan-2-ylmethyl(methyl)amino]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 6-[[furan-2-ylmethyl(methyl)amino]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is CN(Cc1nc(N)c2cnn(C)c2n1)Cc1ccco1.
What is the InChIKey of 6-[[furan-2-ylmethyl(methyl)amino]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is QJDKZDLTCMNVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O/c1-18(7-9-4-3-5-20-9)8-11-16-12(14)10-6-15-19(2)13(10)17-11/h3-6H,7-8H2,1-2H3,(H2,14,16,17).
What are the key properties of 6-[[furan-2-ylmethyl(methyl)amino]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
6-[[furan-2-ylmethyl(methyl)amino]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 272.31 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[furan-2-ylmethyl(methyl)amino]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 63220353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).