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

C10H16N6S — CID 113478383

IUPAC4-N-(4-methylsulfanylbutan-2-yl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
SMILESCSCCC(C)Nc1nc(N)nc2[nH]ncc12
InChIInChI=1S/C10H16N6S/c1-6(3-4-17-2)13-8-7-5-12-16-9(7)15-10(11)14-8/h5-6H,3-4H2,1-2H3,(H4,11,12,13,14,15,16)
InChIKeyKLVVXUAPKBRLRE-UHFFFAOYSA-N
MW252.35 g/mol
LogP1.49
Rot. Bonds5

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

4-N-(4-methylsulfanylbutan-2-yl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine (PubChem CID 113478383) has the molecular formula C10H16N6S and a molecular weight of 252.35 g/mol. Its IUPAC name is 4-N-(4-methylsulfanylbutan-2-yl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(4-methylsulfanylbutan-2-yl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
PubChem CID113478383
Molecular FormulaC10H16N6S
Molecular Weight252.35 g/mol
Exact Mass252.12
IUPAC Name4-N-(4-methylsulfanylbutan-2-yl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
SMILESCSCCC(C)Nc1nc(N)nc2[nH]ncc12
InChIInChI=1S/C10H16N6S/c1-6(3-4-17-2)13-8-7-5-12-16-9(7)15-10(11)14-8/h5-6H,3-4H2,1-2H3,(H4,11,12,13,14,15,16)
InChIKeyKLVVXUAPKBRLRE-UHFFFAOYSA-N
XLogP1.49
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-Dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 221159
n-Methyl-1h-pyrazolo[3,4-d]pyrimidin-4-amine
CID 221158
4-propylsulfanyl-1H-pyrazolo[3,4-d]pyrimidine
CID 231437
1-(1H-Pyrazolo[3,4-d]pyrimidin-4-yl)-piperidin-4-ylamine
CID 11535873
N-ethyl-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 219754
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
4-(Methylthio)-1H-pyrazolo(3,4-d)pyrimidine
CID 79452
N-ethyl-N-propyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 223708
4-butylsulfanyl-1H-pyrazolo[5,4-d]pyrimidine
CID 231439
6-(Methylthio)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 227469
Pyrazolo[3,4-d]pyrimidine, 4-(6-ethylhexyl)amino-
CID 228297

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-methylsulfanylbutan-2-yl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(4-methylsulfanylbutan-2-yl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine (CID 113478383) is 4-N-(4-methylsulfanylbutan-2-yl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(4-methylsulfanylbutan-2-yl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(4-methylsulfanylbutan-2-yl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine is CSCCC(C)Nc1nc(N)nc2[nH]ncc12.
What is the InChIKey of 4-N-(4-methylsulfanylbutan-2-yl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine?
The InChIKey is KLVVXUAPKBRLRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6S/c1-6(3-4-17-2)13-8-7-5-12-16-9(7)15-10(11)14-8/h5-6H,3-4H2,1-2H3,(H4,11,12,13,14,15,16).
What are the key properties of 4-N-(4-methylsulfanylbutan-2-yl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine?
4-N-(4-methylsulfanylbutan-2-yl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine has a molecular weight of 252.35 g/mol, XLogP of 1.49, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-methylsulfanylbutan-2-yl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine is sourced from PubChem (CID 113478383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).