4-N-(2-methylsulfanylcyclopentyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine

C11H16N6S — CID 114122145

IUPAC4-N-(2-methylsulfanylcyclopentyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
SMILESCSC1CCCC1Nc1nc(N)nc2[nH]ncc12
InChIInChI=1S/C11H16N6S/c1-18-8-4-2-3-7(8)14-9-6-5-13-17-10(6)16-11(12)15-9/h5,7-8H,2-4H2,1H3,(H4,12,13,14,15,16,17)
InChIKeyAIBZRHWQSHRLCG-UHFFFAOYSA-N
MW264.36 g/mol
LogP1.63
Rot. Bonds3

About 4-N-(2-methylsulfanylcyclopentyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine

4-N-(2-methylsulfanylcyclopentyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine (PubChem CID 114122145) has the molecular formula C11H16N6S and a molecular weight of 264.36 g/mol. Its IUPAC name is 4-N-(2-methylsulfanylcyclopentyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-methylsulfanylcyclopentyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
PubChem CID114122145
Molecular FormulaC11H16N6S
Molecular Weight264.36 g/mol
Exact Mass264.12
IUPAC Name4-N-(2-methylsulfanylcyclopentyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
SMILESCSC1CCCC1Nc1nc(N)nc2[nH]ncc12
InChIInChI=1S/C11H16N6S/c1-18-8-4-2-3-7(8)14-9-6-5-13-17-10(6)16-11(12)15-9/h5,7-8H,2-4H2,1H3,(H4,12,13,14,15,16,17)
InChIKeyAIBZRHWQSHRLCG-UHFFFAOYSA-N
XLogP1.63
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.36
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1H-Pyrazolo[3,4-d]pyrimidin-4-yl)-piperidin-4-ylamine
CID 11535873
N-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 221086
4-N,6-N-dimethyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 223696
Pyrazolo[3,4-d]pyrimidine, 4-(6-ethylhexyl)amino-
CID 228297
n-Ethyl-1h-pyrazolo[3,4-d]pyrimidin-4-amine
CID 220775
1H-Pyrazolo[3, N-butyl-
CID 221088
N-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 221160
N-(2-methylpropyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 228295
N-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 408168
N-butyl-6-butylsulfanyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 168276414
N-butyl-6-methylsulfanyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 72721028
N-cyclopentyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 39038262

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methylsulfanylcyclopentyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-methylsulfanylcyclopentyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine (CID 114122145) is 4-N-(2-methylsulfanylcyclopentyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-methylsulfanylcyclopentyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-methylsulfanylcyclopentyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine is CSC1CCCC1Nc1nc(N)nc2[nH]ncc12.
What is the InChIKey of 4-N-(2-methylsulfanylcyclopentyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine?
The InChIKey is AIBZRHWQSHRLCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6S/c1-18-8-4-2-3-7(8)14-9-6-5-13-17-10(6)16-11(12)15-9/h5,7-8H,2-4H2,1H3,(H4,12,13,14,15,16,17).
What are the key properties of 4-N-(2-methylsulfanylcyclopentyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine?
4-N-(2-methylsulfanylcyclopentyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine has a molecular weight of 264.36 g/mol, XLogP of 1.63, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methylsulfanylcyclopentyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine is sourced from PubChem (CID 114122145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).