1-N,1-N-dimethyl-2-N-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)propane-1,2-diamine

C11H18N6 — CID 82939474

IUPAC1-N,1-N-dimethyl-2-N-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)propane-1,2-diamine
SMILESCC(CN(C)C)Nc1ncnc2c1cnn2C
InChIInChI=1S/C11H18N6/c1-8(6-16(2)3)15-10-9-5-14-17(4)11(9)13-7-12-10/h5,7-8H,6H2,1-4H3,(H,12,13,15)
InChIKeyFKHYXHLQFRWHEA-UHFFFAOYSA-N
MW234.31 g/mol
LogP0.73
Rot. Bonds4

About 1-N,1-N-dimethyl-2-N-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)propane-1,2-diamine

1-N,1-N-dimethyl-2-N-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)propane-1,2-diamine (PubChem CID 82939474) has the molecular formula C11H18N6 and a molecular weight of 234.31 g/mol. Its IUPAC name is 1-N,1-N-dimethyl-2-N-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N,1-N-dimethyl-2-N-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)propane-1,2-diamine
PubChem CID82939474
Molecular FormulaC11H18N6
Molecular Weight234.31 g/mol
Exact Mass234.16
IUPAC Name1-N,1-N-dimethyl-2-N-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)propane-1,2-diamine
SMILESCC(CN(C)C)Nc1ncnc2c1cnn2C
InChIInChI=1S/C11H18N6/c1-8(6-16(2)3)15-10-9-5-14-17(4)11(9)13-7-12-10/h5,7-8H,6H2,1-4H3,(H,12,13,15)
InChIKeyFKHYXHLQFRWHEA-UHFFFAOYSA-N
XLogP0.73
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.31
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)propane-1,2-diamine
CID 63730898
1-methyl-N-(1-methylsulfanylpropan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 115637656
1-methyl-N-(3-methylbutan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 43088482
1-methyl-N-(4-methylsulfinylbutan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 115689354
1-methyl-N-[1-(4-methylphenyl)sulfonylpropan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 86816235
(2R)-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propanoic acid
CID 93056813
N-hexan-3-yl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 62046967
N-(2,2-difluoroethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 79099379
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 115681142
1-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 103853822
1-methyl-N-[1-(2-methylphenyl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 42889435
1-methyl-N-[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 95278624

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-dimethyl-2-N-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)propane-1,2-diamine?
The IUPAC name of 1-N,1-N-dimethyl-2-N-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)propane-1,2-diamine (CID 82939474) is 1-N,1-N-dimethyl-2-N-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)propane-1,2-diamine.
What is the SMILES notation for 1-N,1-N-dimethyl-2-N-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)propane-1,2-diamine?
The canonical SMILES for 1-N,1-N-dimethyl-2-N-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)propane-1,2-diamine is CC(CN(C)C)Nc1ncnc2c1cnn2C.
What is the InChIKey of 1-N,1-N-dimethyl-2-N-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)propane-1,2-diamine?
The InChIKey is FKHYXHLQFRWHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6/c1-8(6-16(2)3)15-10-9-5-14-17(4)11(9)13-7-12-10/h5,7-8H,6H2,1-4H3,(H,12,13,15).
What are the key properties of 1-N,1-N-dimethyl-2-N-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)propane-1,2-diamine?
1-N,1-N-dimethyl-2-N-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)propane-1,2-diamine has a molecular weight of 234.31 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-dimethyl-2-N-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)propane-1,2-diamine is sourced from PubChem (CID 82939474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).