N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-6-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

C15H20N6S — CID 56908597

IUPACN-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-6-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCc1nc(NCCc2nc(C)c(C)s2)c2cnn(C)c2n1
InChIInChI=1S/C15H20N6S/c1-5-12-19-14(11-8-17-21(4)15(11)20-12)16-7-6-13-18-9(2)10(3)22-13/h8H,5-7H2,1-4H3,(H,16,19,20)
InChIKeyNPGPQXASOGISSF-UHFFFAOYSA-N
MW316.43 g/mol
LogP2.65
Rot. Bonds5

About N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-6-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-6-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 56908597) has the molecular formula C15H20N6S and a molecular weight of 316.43 g/mol. Its IUPAC name is N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-6-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-6-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID56908597
Molecular FormulaC15H20N6S
Molecular Weight316.43 g/mol
Exact Mass316.15
IUPAC NameN-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-6-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCc1nc(NCCc2nc(C)c(C)s2)c2cnn(C)c2n1
InChIInChI=1S/C15H20N6S/c1-5-12-19-14(11-8-17-21(4)15(11)20-12)16-7-6-13-18-9(2)10(3)22-13/h8H,5-7H2,1-4H3,(H,16,19,20)
InChIKeyNPGPQXASOGISSF-UHFFFAOYSA-N
XLogP2.65
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-6-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-6-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (CID 56908597) is N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-6-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-6-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-6-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is CCc1nc(NCCc2nc(C)c(C)s2)c2cnn(C)c2n1.
What is the InChIKey of N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-6-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is NPGPQXASOGISSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6S/c1-5-12-19-14(11-8-17-21(4)15(11)20-12)16-7-6-13-18-9(2)10(3)22-13/h8H,5-7H2,1-4H3,(H,16,19,20).
What are the key properties of N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-6-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-6-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 316.43 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-6-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 56908597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).