N-[(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-amine

C17H24N6S — CID 95882902

IUPACN-[(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCCc1nc(N[C@@H](CC)c2nc(C)c(C)s2)c2cnn(C)c2n1
InChIInChI=1S/C17H24N6S/c1-6-8-14-21-15(12-9-18-23(5)16(12)22-14)20-13(7-2)17-19-10(3)11(4)24-17/h9,13H,6-8H2,1-5H3,(H,20,21,22)/t13-/m0/s1
InChIKeyLWMJRZMKURDIOL-ZDUSSCGKSA-N
MW344.49 g/mol
LogP3.95
Rot. Bonds6

About N-[(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-amine

N-[(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 95882902) has the molecular formula C17H24N6S and a molecular weight of 344.49 g/mol. Its IUPAC name is N-[(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID95882902
Molecular FormulaC17H24N6S
Molecular Weight344.49 g/mol
Exact Mass344.18
IUPAC NameN-[(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCCc1nc(N[C@@H](CC)c2nc(C)c(C)s2)c2cnn(C)c2n1
InChIInChI=1S/C17H24N6S/c1-6-8-14-21-15(12-9-18-23(5)16(12)22-14)20-13(7-2)17-19-10(3)11(4)24-17/h9,13H,6-8H2,1-5H3,(H,20,21,22)/t13-/m0/s1
InChIKeyLWMJRZMKURDIOL-ZDUSSCGKSA-N
XLogP3.95
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.49
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-[(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-amine (CID 95882902) is N-[(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-amine is CCCc1nc(N[C@@H](CC)c2nc(C)c(C)s2)c2cnn(C)c2n1.
What is the InChIKey of N-[(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is LWMJRZMKURDIOL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H24N6S/c1-6-8-14-21-15(12-9-18-23(5)16(12)22-14)20-13(7-2)17-19-10(3)11(4)24-17/h9,13H,6-8H2,1-5H3,(H,20,21,22)/t13-/m0/s1.
What are the key properties of N-[(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-amine?
N-[(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 344.49 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 95882902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).