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

C17H18N8S — CID 56912182

IUPAC1-methyl-6-propan-2-yl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)c1nc(NCc2csc(-c3cnccn3)n2)c2cnn(C)c2n1
InChIInChI=1S/C17H18N8S/c1-10(2)14-23-15(12-7-21-25(3)16(12)24-14)20-6-11-9-26-17(22-11)13-8-18-4-5-19-13/h4-5,7-10H,6H2,1-3H3,(H,20,23,24)
InChIKeyAPBHEQMZFJWESV-UHFFFAOYSA-N
MW366.45 g/mol
LogP3.01
Rot. Bonds5

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

1-methyl-6-propan-2-yl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 56912182) has the molecular formula C17H18N8S and a molecular weight of 366.45 g/mol. Its IUPAC name is 1-methyl-6-propan-2-yl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-methyl-6-propan-2-yl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID56912182
Molecular FormulaC17H18N8S
Molecular Weight366.45 g/mol
Exact Mass366.14
IUPAC Name1-methyl-6-propan-2-yl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)c1nc(NCc2csc(-c3cnccn3)n2)c2cnn(C)c2n1
InChIInChI=1S/C17H18N8S/c1-10(2)14-23-15(12-7-21-25(3)16(12)24-14)20-6-11-9-26-17(22-11)13-8-18-4-5-19-13/h4-5,7-10H,6H2,1-3H3,(H,20,23,24)
InChIKeyAPBHEQMZFJWESV-UHFFFAOYSA-N
XLogP3.01
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

1-methyl-6-propan-2-yl-N-[(1-propylpyrazol-4-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 56913154
1-methyl-N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 70760680
1-methyl-6-propan-2-yl-N-(3-pyridin-3-yloxypropyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 56913267
(2R)-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-1-ylpropanamide
CID 125441316
1-methyl-6-propan-2-yl-N-(3-pyridin-4-ylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 56890560
1-methyl-3-(2-methylpropyl)-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]pyrazole-5-carboxamide
CID 50966241
1,4,6-trimethyl-2-oxo-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
CID 131950032
1-methyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]indazole-3-carboxamide
CID 131902698
4-propan-2-yl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]thiadiazole-5-carboxamide
CID 131920068
1,2-dimethyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]imidazole-4-sulfonamide
CID 131925661
2-methyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-1-ylpropanamide
CID 121497616
4-(chloromethyl)-2-pyrazin-2-yl-1,3-thiazole
CID 23025076

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-propan-2-yl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-methyl-6-propan-2-yl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine (CID 56912182) is 1-methyl-6-propan-2-yl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-methyl-6-propan-2-yl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-methyl-6-propan-2-yl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine is CC(C)c1nc(NCc2csc(-c3cnccn3)n2)c2cnn(C)c2n1.
What is the InChIKey of 1-methyl-6-propan-2-yl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is APBHEQMZFJWESV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N8S/c1-10(2)14-23-15(12-7-21-25(3)16(12)24-14)20-6-11-9-26-17(22-11)13-8-18-4-5-19-13/h4-5,7-10H,6H2,1-3H3,(H,20,23,24).
What are the key properties of 1-methyl-6-propan-2-yl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
1-methyl-6-propan-2-yl-N-[(2-pyrazin-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 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-propan-2-yl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 56912182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).