1-methyl-6-propyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine

C17H18N8S — CID 56919357

IUPAC1-methyl-6-propyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCCc1nc(NCc2csc(-c3ncccn3)n2)c2cnn(C)c2n1
InChIInChI=1S/C17H18N8S/c1-3-5-13-23-14(12-9-21-25(2)16(12)24-13)20-8-11-10-26-17(22-11)15-18-6-4-7-19-15/h4,6-7,9-10H,3,5,8H2,1-2H3,(H,20,23,24)
InChIKeyNNDLXHDMYGGSPT-UHFFFAOYSA-N
MW366.45 g/mol
LogP2.84
Rot. Bonds6

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

1-methyl-6-propyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 56919357) has the molecular formula C17H18N8S and a molecular weight of 366.45 g/mol. Its IUPAC name is 1-methyl-6-propyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-methyl-6-propyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID56919357
Molecular FormulaC17H18N8S
Molecular Weight366.45 g/mol
Exact Mass366.14
IUPAC Name1-methyl-6-propyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCCc1nc(NCc2csc(-c3ncccn3)n2)c2cnn(C)c2n1
InChIInChI=1S/C17H18N8S/c1-3-5-13-23-14(12-9-21-25(2)16(12)24-13)20-8-11-10-26-17(22-11)15-18-6-4-7-19-15/h4,6-7,9-10H,3,5,8H2,1-2H3,(H,20,23,24)
InChIKeyNNDLXHDMYGGSPT-UHFFFAOYSA-N
XLogP2.84
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-propyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-methyl-6-propyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine (CID 56919357) is 1-methyl-6-propyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-methyl-6-propyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-methyl-6-propyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine is CCCc1nc(NCc2csc(-c3ncccn3)n2)c2cnn(C)c2n1.
What is the InChIKey of 1-methyl-6-propyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is NNDLXHDMYGGSPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N8S/c1-3-5-13-23-14(12-9-21-25(2)16(12)24-13)20-8-11-10-26-17(22-11)15-18-6-4-7-19-15/h4,6-7,9-10H,3,5,8H2,1-2H3,(H,20,23,24).
What are the key properties of 1-methyl-6-propyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
1-methyl-6-propyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 366.45 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-propyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 56919357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).