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

C10H16N6 — CID 63194332

IUPAC2-methyl-2-N-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)propane-1,2-diamine
SMILESCn1ncc2c(NC(C)(C)CN)ncnc21
InChIInChI=1S/C10H16N6/c1-10(2,5-11)15-8-7-4-14-16(3)9(7)13-6-12-8/h4,6H,5,11H2,1-3H3,(H,12,13,15)
InChIKeyHHVJOHVCAYTMMG-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.51
Rot. Bonds3

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

2-methyl-2-N-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)propane-1,2-diamine (PubChem CID 63194332) has the molecular formula C10H16N6 and a molecular weight of 220.28 g/mol. Its IUPAC name is 2-methyl-2-N-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)propane-1,2-diamine.

Molecular Properties

Compound Name2-methyl-2-N-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)propane-1,2-diamine
PubChem CID63194332
Molecular FormulaC10H16N6
Molecular Weight220.28 g/mol
Exact Mass220.14
IUPAC Name2-methyl-2-N-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)propane-1,2-diamine
SMILESCn1ncc2c(NC(C)(C)CN)ncnc21
InChIInChI=1S/C10H16N6/c1-10(2,5-11)15-8-7-4-14-16(3)9(7)13-6-12-8/h4,6H,5,11H2,1-3H3,(H,12,13,15)
InChIKeyHHVJOHVCAYTMMG-UHFFFAOYSA-N
XLogP0.51
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2,2-diethyl-N'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)propane-1,3-diamine
CID 106251404
2-N-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)propane-1,2-diamine
CID 63730898
N-[[1-(aminomethyl)cyclopropyl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 113313719
1-methyl-N-(2-methyl-2-methylsulfanylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 115663474
N-(2,2-difluoroethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 79099379
N-[2-(4-aminopyrazol-1-yl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 115320078
N-[[1-(aminomethyl)cyclohexyl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 103970405
2,2-dimethyl-4-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]butanoic acid
CID 114285536
N-ethyl-N'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)propane-1,3-diamine
CID 54906576
6-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]hexan-1-ol
CID 103917942
1-tert-butyl-2-[2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]guanidine
CID 111101803
1-methyl-N-(3-methylbutan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 43088482

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-N-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)propane-1,2-diamine?
The IUPAC name of 2-methyl-2-N-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)propane-1,2-diamine (CID 63194332) is 2-methyl-2-N-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)propane-1,2-diamine.
What is the SMILES notation for 2-methyl-2-N-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)propane-1,2-diamine?
The canonical SMILES for 2-methyl-2-N-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)propane-1,2-diamine is Cn1ncc2c(NC(C)(C)CN)ncnc21.
What is the InChIKey of 2-methyl-2-N-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)propane-1,2-diamine?
The InChIKey is HHVJOHVCAYTMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6/c1-10(2,5-11)15-8-7-4-14-16(3)9(7)13-6-12-8/h4,6H,5,11H2,1-3H3,(H,12,13,15).
What are the key properties of 2-methyl-2-N-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)propane-1,2-diamine?
2-methyl-2-N-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)propane-1,2-diamine has a molecular weight of 220.28 g/mol, XLogP of 0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-N-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)propane-1,2-diamine is sourced from PubChem (CID 63194332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).