6-N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine

C14H19N7S — CID 134713892

IUPAC6-N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
SMILESCCC(Nc1nc(N)c2cnn(C)c2n1)c1nc(C)c(C)s1
InChIInChI=1S/C14H19N7S/c1-5-10(13-17-7(2)8(3)22-13)18-14-19-11(15)9-6-16-21(4)12(9)20-14/h6,10H,5H2,1-4H3,(H3,15,18,19,20)
InChIKeyPCFRORAHQAZJBD-UHFFFAOYSA-N
MW317.42 g/mol
LogP2.58
Rot. Bonds4

About 6-N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine

6-N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine (PubChem CID 134713892) has the molecular formula C14H19N7S and a molecular weight of 317.42 g/mol. Its IUPAC name is 6-N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
PubChem CID134713892
Molecular FormulaC14H19N7S
Molecular Weight317.42 g/mol
Exact Mass317.14
IUPAC Name6-N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
SMILESCCC(Nc1nc(N)c2cnn(C)c2n1)c1nc(C)c(C)s1
InChIInChI=1S/C14H19N7S/c1-5-10(13-17-7(2)8(3)22-13)18-14-19-11(15)9-6-16-21(4)12(9)20-14/h6,10H,5H2,1-4H3,(H3,15,18,19,20)
InChIKeyPCFRORAHQAZJBD-UHFFFAOYSA-N
XLogP2.58
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.42
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine?
The IUPAC name of 6-N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine (CID 134713892) is 6-N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine is CCC(Nc1nc(N)c2cnn(C)c2n1)c1nc(C)c(C)s1.
What is the InChIKey of 6-N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine?
The InChIKey is PCFRORAHQAZJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N7S/c1-5-10(13-17-7(2)8(3)22-13)18-14-19-11(15)9-6-16-21(4)12(9)20-14/h6,10H,5H2,1-4H3,(H3,15,18,19,20).
What are the key properties of 6-N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine?
6-N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine has a molecular weight of 317.42 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine is sourced from PubChem (CID 134713892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).