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

C9H14N6 — CID 63730898

IUPAC2-N-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)propane-1,2-diamine
SMILESCC(CN)Nc1ncnc2c1cnn2C
InChIInChI=1S/C9H14N6/c1-6(3-10)14-8-7-4-13-15(2)9(7)12-5-11-8/h4-6H,3,10H2,1-2H3,(H,11,12,14)
InChIKeyUZXNQDBTSZHYSU-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.12
Rot. Bonds3

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

2-N-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)propane-1,2-diamine (PubChem CID 63730898) has the molecular formula C9H14N6 and a molecular weight of 206.25 g/mol. Its IUPAC name is 2-N-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)propane-1,2-diamine
PubChem CID63730898
Molecular FormulaC9H14N6
Molecular Weight206.25 g/mol
Exact Mass206.13
IUPAC Name2-N-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)propane-1,2-diamine
SMILESCC(CN)Nc1ncnc2c1cnn2C
InChIInChI=1S/C9H14N6/c1-6(3-10)14-8-7-4-13-15(2)9(7)12-5-11-8/h4-6H,3,10H2,1-2H3,(H,11,12,14)
InChIKeyUZXNQDBTSZHYSU-UHFFFAOYSA-N
XLogP0.12
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)propane-1,2-diamine?
The IUPAC name of 2-N-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)propane-1,2-diamine (CID 63730898) is 2-N-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)propane-1,2-diamine.
What is the SMILES notation for 2-N-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)propane-1,2-diamine?
The canonical SMILES for 2-N-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)propane-1,2-diamine is CC(CN)Nc1ncnc2c1cnn2C.
What is the InChIKey of 2-N-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)propane-1,2-diamine?
The InChIKey is UZXNQDBTSZHYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6/c1-6(3-10)14-8-7-4-13-15(2)9(7)12-5-11-8/h4-6H,3,10H2,1-2H3,(H,11,12,14).
What are the key properties of 2-N-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)propane-1,2-diamine?
2-N-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)propane-1,2-diamine has a molecular weight of 206.25 g/mol, XLogP of 0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)propane-1,2-diamine is sourced from PubChem (CID 63730898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).