4-N-(3-methylsulfinylbutyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine

C10H16N6OS — CID 113490930

IUPAC4-N-(3-methylsulfinylbutyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
SMILESCC(CCNc1nc(N)nc2[nH]ncc12)S(C)=O
InChIInChI=1S/C10H16N6OS/c1-6(18(2)17)3-4-12-8-7-5-13-16-9(7)15-10(11)14-8/h5-6H,3-4H2,1-2H3,(H4,11,12,13,14,15,16)
InChIKeyYXJDZAGPRRFJCJ-UHFFFAOYSA-N
MW268.35 g/mol
LogP0.50
Rot. Bonds5

About 4-N-(3-methylsulfinylbutyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine

4-N-(3-methylsulfinylbutyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine (PubChem CID 113490930) has the molecular formula C10H16N6OS and a molecular weight of 268.35 g/mol. Its IUPAC name is 4-N-(3-methylsulfinylbutyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3-methylsulfinylbutyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
PubChem CID113490930
Molecular FormulaC10H16N6OS
Molecular Weight268.35 g/mol
Exact Mass268.11
IUPAC Name4-N-(3-methylsulfinylbutyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
SMILESCC(CCNc1nc(N)nc2[nH]ncc12)S(C)=O
InChIInChI=1S/C10H16N6OS/c1-6(18(2)17)3-4-12-8-7-5-13-16-9(7)15-10(11)14-8/h5-6H,3-4H2,1-2H3,(H4,11,12,13,14,15,16)
InChIKeyYXJDZAGPRRFJCJ-UHFFFAOYSA-N
XLogP0.50
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-(3-methylsulfinylbutyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(3-methylsulfinylbutyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine (CID 113490930) is 4-N-(3-methylsulfinylbutyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(3-methylsulfinylbutyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(3-methylsulfinylbutyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine is CC(CCNc1nc(N)nc2[nH]ncc12)S(C)=O.
What is the InChIKey of 4-N-(3-methylsulfinylbutyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine?
The InChIKey is YXJDZAGPRRFJCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6OS/c1-6(18(2)17)3-4-12-8-7-5-13-16-9(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-(3-methylsulfinylbutyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine?
4-N-(3-methylsulfinylbutyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine has a molecular weight of 268.35 g/mol, XLogP of 0.50, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-methylsulfinylbutyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine is sourced from PubChem (CID 113490930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).